N-[1-[4-(cyclopropanecarbonylamino)phenyl]indol-5-yl]-4-[2-hydroxyethyl(methyl)amino]benzamide

C28H28N4O3 — CID 71036590

IUPACN-[1-[4-(cyclopropanecarbonylamino)phenyl]indol-5-yl]-4-[2-hydroxyethyl(methyl)amino]benzamide
SMILESCN(CCO)c1ccc(C(=O)Nc2ccc3c(ccn3-c3ccc(NC(=O)C4CC4)cc3)c2)cc1
InChIInChI=1S/C28H28N4O3/c1-31(16-17-33)24-9-4-20(5-10-24)28(35)30-23-8-13-26-21(18-23)14-15-32(26)25-11-6-22(7-12-25)29-27(34)19-2-3-19/h4-15,18-19,33H,2-3,16-17H2,1H3,(H,29,34)(H,30,35)
InChIKeyPIKZTCASYXRAGF-UHFFFAOYSA-N
MW468.56 g/mol
LogP4.66
Rot. Bonds8

About N-[1-[4-(cyclopropanecarbonylamino)phenyl]indol-5-yl]-4-[2-hydroxyethyl(methyl)amino]benzamide

N-[1-[4-(cyclopropanecarbonylamino)phenyl]indol-5-yl]-4-[2-hydroxyethyl(methyl)amino]benzamide (PubChem CID 71036590) has the molecular formula C28H28N4O3 and a molecular weight of 468.56 g/mol. Its IUPAC name is N-[1-[4-(cyclopropanecarbonylamino)phenyl]indol-5-yl]-4-[2-hydroxyethyl(methyl)amino]benzamide.

Molecular Properties

Compound NameN-[1-[4-(cyclopropanecarbonylamino)phenyl]indol-5-yl]-4-[2-hydroxyethyl(methyl)amino]benzamide
PubChem CID71036590
Molecular FormulaC28H28N4O3
Molecular Weight468.56 g/mol
Exact Mass468.22
IUPAC NameN-[1-[4-(cyclopropanecarbonylamino)phenyl]indol-5-yl]-4-[2-hydroxyethyl(methyl)amino]benzamide
SMILESCN(CCO)c1ccc(C(=O)Nc2ccc3c(ccn3-c3ccc(NC(=O)C4CC4)cc3)c2)cc1
InChIInChI=1S/C28H28N4O3/c1-31(16-17-33)24-9-4-20(5-10-24)28(35)30-23-8-13-26-21(18-23)14-15-32(26)25-11-6-22(7-12-25)29-27(34)19-2-3-19/h4-15,18-19,33H,2-3,16-17H2,1H3,(H,29,34)(H,30,35)
InChIKeyPIKZTCASYXRAGF-UHFFFAOYSA-N
XLogP4.66
TPSA86.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.56
LogP ≤ 54.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(cyclopropanecarbonylamino)phenyl]indol-5-yl]-4-[2-hydroxyethyl(methyl)amino]benzamide?
The IUPAC name of N-[1-[4-(cyclopropanecarbonylamino)phenyl]indol-5-yl]-4-[2-hydroxyethyl(methyl)amino]benzamide (CID 71036590) is N-[1-[4-(cyclopropanecarbonylamino)phenyl]indol-5-yl]-4-[2-hydroxyethyl(methyl)amino]benzamide.
What is the SMILES notation for N-[1-[4-(cyclopropanecarbonylamino)phenyl]indol-5-yl]-4-[2-hydroxyethyl(methyl)amino]benzamide?
The canonical SMILES for N-[1-[4-(cyclopropanecarbonylamino)phenyl]indol-5-yl]-4-[2-hydroxyethyl(methyl)amino]benzamide is CN(CCO)c1ccc(C(=O)Nc2ccc3c(ccn3-c3ccc(NC(=O)C4CC4)cc3)c2)cc1.
What is the InChIKey of N-[1-[4-(cyclopropanecarbonylamino)phenyl]indol-5-yl]-4-[2-hydroxyethyl(methyl)amino]benzamide?
The InChIKey is PIKZTCASYXRAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O3/c1-31(16-17-33)24-9-4-20(5-10-24)28(35)30-23-8-13-26-21(18-23)14-15-32(26)25-11-6-22(7-12-25)29-27(34)19-2-3-19/h4-15,18-19,33H,2-3,16-17H2,1H3,(H,29,34)(H,30,35).
What are the key properties of N-[1-[4-(cyclopropanecarbonylamino)phenyl]indol-5-yl]-4-[2-hydroxyethyl(methyl)amino]benzamide?
N-[1-[4-(cyclopropanecarbonylamino)phenyl]indol-5-yl]-4-[2-hydroxyethyl(methyl)amino]benzamide has a molecular weight of 468.56 g/mol, XLogP of 4.66, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(cyclopropanecarbonylamino)phenyl]indol-5-yl]-4-[2-hydroxyethyl(methyl)amino]benzamide is sourced from PubChem (CID 71036590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).