N-[4-[2-(hydroxymethyl)-4-(propan-2-ylcarbamoylamino)phenoxy]phenyl]-4-[3-(piperidin-1-ylmethyl)indol-1-yl]benzamide;N-[4-[4-(propan-2-ylcarbamoylamino)phenoxy]phenyl]-4-[3-(2-pyrrolidin-1-ylethyl)indol-1-yl]benzamide

C75H80N10O7 — CID 87790402

IUPACN-[4-[2-(hydroxymethyl)-4-(propan-2-ylcarbamoylamino)phenoxy]phenyl]-4-[3-(piperidin-1-ylmethyl)indol-1-yl]benzamide;N-[4-[4-(propan-2-ylcarbamoylamino)phenoxy]phenyl]-4-[3-(2-pyrrolidin-1-ylethyl)indol-1-yl]benzamide
SMILESCC(C)NC(=O)Nc1ccc(Oc2ccc(NC(=O)c3ccc(-n4cc(CCN5CCCC5)c5ccccc54)cc3)cc2)cc1.CC(C)NC(=O)Nc1ccc(Oc2ccc(NC(=O)c3ccc(-n4cc(CN5CCCCC5)c5ccccc54)cc3)cc2)c(CO)c1
InChIInChI=1S/C38H41N5O4.C37H39N5O3/c1-26(2)39-38(46)41-31-14-19-36(28(22-31)25-44)47-33-17-12-30(13-18-33)40-37(45)27-10-15-32(16-11-27)43-24-29(23-42-20-6-3-7-21-42)34-8-4-5-9-35(34)43;1-26(2)38-37(44)40-30-13-19-33(20-14-30)45-32-17-11-29(12-18-32)39-36(43)27-9-15-31(16-10-27)42-25-28(21-24-41-22-5-6-23-41)34-7-3-4-8-35(34)42/h4-5,8-19,22,24,26,44H,3,6-7,20-21,23,25H2,1-2H3,(H,40,45)(H2,39,41,46);3-4,7-20,25-26H,5-6,21-24H2,1-2H3,(H,39,43)(H2,38,40,44)
InChIKeyFLUSVCNJESKOLW-UHFFFAOYSA-N
MW1233.53 g/mol
LogP15.53
Rot. Bonds20

About N-[4-[2-(hydroxymethyl)-4-(propan-2-ylcarbamoylamino)phenoxy]phenyl]-4-[3-(piperidin-1-ylmethyl)indol-1-yl]benzamide;N-[4-[4-(propan-2-ylcarbamoylamino)phenoxy]phenyl]-4-[3-(2-pyrrolidin-1-ylethyl)indol-1-yl]benzamide

N-[4-[2-(hydroxymethyl)-4-(propan-2-ylcarbamoylamino)phenoxy]phenyl]-4-[3-(piperidin-1-ylmethyl)indol-1-yl]benzamide;N-[4-[4-(propan-2-ylcarbamoylamino)phenoxy]phenyl]-4-[3-(2-pyrrolidin-1-ylethyl)indol-1-yl]benzamide (PubChem CID 87790402) has the molecular formula C75H80N10O7 and a molecular weight of 1233.53 g/mol. Its IUPAC name is N-[4-[2-(hydroxymethyl)-4-(propan-2-ylcarbamoylamino)phenoxy]phenyl]-4-[3-(piperidin-1-ylmethyl)indol-1-yl]benzamide;N-[4-[4-(propan-2-ylcarbamoylamino)phenoxy]phenyl]-4-[3-(2-pyrrolidin-1-ylethyl)indol-1-yl]benzamide.

Molecular Properties

Compound NameN-[4-[2-(hydroxymethyl)-4-(propan-2-ylcarbamoylamino)phenoxy]phenyl]-4-[3-(piperidin-1-ylmethyl)indol-1-yl]benzamide;N-[4-[4-(propan-2-ylcarbamoylamino)phenoxy]phenyl]-4-[3-(2-pyrrolidin-1-ylethyl)indol-1-yl]benzamide
PubChem CID87790402
Molecular FormulaC75H80N10O7
Molecular Weight1233.53 g/mol
Exact Mass1232.62
IUPAC NameN-[4-[2-(hydroxymethyl)-4-(propan-2-ylcarbamoylamino)phenoxy]phenyl]-4-[3-(piperidin-1-ylmethyl)indol-1-yl]benzamide;N-[4-[4-(propan-2-ylcarbamoylamino)phenoxy]phenyl]-4-[3-(2-pyrrolidin-1-ylethyl)indol-1-yl]benzamide
SMILESCC(C)NC(=O)Nc1ccc(Oc2ccc(NC(=O)c3ccc(-n4cc(CCN5CCCC5)c5ccccc54)cc3)cc2)cc1.CC(C)NC(=O)Nc1ccc(Oc2ccc(NC(=O)c3ccc(-n4cc(CN5CCCCC5)c5ccccc54)cc3)cc2)c(CO)c1
InChIInChI=1S/C38H41N5O4.C37H39N5O3/c1-26(2)39-38(46)41-31-14-19-36(28(22-31)25-44)47-33-17-12-30(13-18-33)40-37(45)27-10-15-32(16-11-27)43-24-29(23-42-20-6-3-7-21-42)34-8-4-5-9-35(34)43;1-26(2)38-37(44)40-30-13-19-33(20-14-30)45-32-17-11-29(12-18-32)39-36(43)27-9-15-31(16-10-27)42-25-28(21-24-41-22-5-6-23-41)34-7-3-4-8-35(34)42/h4-5,8-19,22,24,26,44H,3,6-7,20-21,23,25H2,1-2H3,(H,40,45)(H2,39,41,46);3-4,7-20,25-26H,5-6,21-24H2,1-2H3,(H,39,43)(H2,38,40,44)
InChIKeyFLUSVCNJESKOLW-UHFFFAOYSA-N
XLogP15.53
TPSA195.49 Ų
H-Bond Donors7
H-Bond Acceptors11
Rotatable Bonds20
Heavy Atoms92
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001233.53
LogP ≤ 515.53
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1011

Analyze N-[4-[2-(hydroxymethyl)-4-(propan-2-ylcarbamoylamino)phenoxy]phenyl]-4-[3-(piperidin-1-ylmethyl)indol-1-yl]benzamide;N-[4-[4-(propan-2-ylcarbamoylamino)phenoxy]phenyl]-4-[3-(2-pyrrolidin-1-ylethyl)indol-1-yl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(hydroxymethyl)-4-(propan-2-ylcarbamoylamino)phenoxy]phenyl]-4-[3-(piperidin-1-ylmethyl)indol-1-yl]benzamide;N-[4-[4-(propan-2-ylcarbamoylamino)phenoxy]phenyl]-4-[3-(2-pyrrolidin-1-ylethyl)indol-1-yl]benzamide?
The IUPAC name of N-[4-[2-(hydroxymethyl)-4-(propan-2-ylcarbamoylamino)phenoxy]phenyl]-4-[3-(piperidin-1-ylmethyl)indol-1-yl]benzamide;N-[4-[4-(propan-2-ylcarbamoylamino)phenoxy]phenyl]-4-[3-(2-pyrrolidin-1-ylethyl)indol-1-yl]benzamide (CID 87790402) is N-[4-[2-(hydroxymethyl)-4-(propan-2-ylcarbamoylamino)phenoxy]phenyl]-4-[3-(piperidin-1-ylmethyl)indol-1-yl]benzamide;N-[4-[4-(propan-2-ylcarbamoylamino)phenoxy]phenyl]-4-[3-(2-pyrrolidin-1-ylethyl)indol-1-yl]benzamide.
What is the SMILES notation for N-[4-[2-(hydroxymethyl)-4-(propan-2-ylcarbamoylamino)phenoxy]phenyl]-4-[3-(piperidin-1-ylmethyl)indol-1-yl]benzamide;N-[4-[4-(propan-2-ylcarbamoylamino)phenoxy]phenyl]-4-[3-(2-pyrrolidin-1-ylethyl)indol-1-yl]benzamide?
The canonical SMILES for N-[4-[2-(hydroxymethyl)-4-(propan-2-ylcarbamoylamino)phenoxy]phenyl]-4-[3-(piperidin-1-ylmethyl)indol-1-yl]benzamide;N-[4-[4-(propan-2-ylcarbamoylamino)phenoxy]phenyl]-4-[3-(2-pyrrolidin-1-ylethyl)indol-1-yl]benzamide is CC(C)NC(=O)Nc1ccc(Oc2ccc(NC(=O)c3ccc(-n4cc(CCN5CCCC5)c5ccccc54)cc3)cc2)cc1.CC(C)NC(=O)Nc1ccc(Oc2ccc(NC(=O)c3ccc(-n4cc(CN5CCCCC5)c5ccccc54)cc3)cc2)c(CO)c1.
What is the InChIKey of N-[4-[2-(hydroxymethyl)-4-(propan-2-ylcarbamoylamino)phenoxy]phenyl]-4-[3-(piperidin-1-ylmethyl)indol-1-yl]benzamide;N-[4-[4-(propan-2-ylcarbamoylamino)phenoxy]phenyl]-4-[3-(2-pyrrolidin-1-ylethyl)indol-1-yl]benzamide?
The InChIKey is FLUSVCNJESKOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H41N5O4.C37H39N5O3/c1-26(2)39-38(46)41-31-14-19-36(28(22-31)25-44)47-33-17-12-30(13-18-33)40-37(45)27-10-15-32(16-11-27)43-24-29(23-42-20-6-3-7-21-42)34-8-4-5-9-35(34)43;1-26(2)38-37(44)40-30-13-19-33(20-14-30)45-32-17-11-29(12-18-32)39-36(43)27-9-15-31(16-10-27)42-25-28(21-24-41-22-5-6-23-41)34-7-3-4-8-35(34)42/h4-5,8-19,22,24,26,44H,3,6-7,20-21,23,25H2,1-2H3,(H,40,45)(H2,39,41,46);3-4,7-20,25-26H,5-6,21-24H2,1-2H3,(H,39,43)(H2,38,40,44).
What are the key properties of N-[4-[2-(hydroxymethyl)-4-(propan-2-ylcarbamoylamino)phenoxy]phenyl]-4-[3-(piperidin-1-ylmethyl)indol-1-yl]benzamide;N-[4-[4-(propan-2-ylcarbamoylamino)phenoxy]phenyl]-4-[3-(2-pyrrolidin-1-ylethyl)indol-1-yl]benzamide?
N-[4-[2-(hydroxymethyl)-4-(propan-2-ylcarbamoylamino)phenoxy]phenyl]-4-[3-(piperidin-1-ylmethyl)indol-1-yl]benzamide;N-[4-[4-(propan-2-ylcarbamoylamino)phenoxy]phenyl]-4-[3-(2-pyrrolidin-1-ylethyl)indol-1-yl]benzamide has a molecular weight of 1233.53 g/mol, XLogP of 15.53, 20 rotatable bonds, 7 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(hydroxymethyl)-4-(propan-2-ylcarbamoylamino)phenoxy]phenyl]-4-[3-(piperidin-1-ylmethyl)indol-1-yl]benzamide;N-[4-[4-(propan-2-ylcarbamoylamino)phenoxy]phenyl]-4-[3-(2-pyrrolidin-1-ylethyl)indol-1-yl]benzamide is sourced from PubChem (CID 87790402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).