4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide

C27H30N4O5 — CID 55693837

IUPAC4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide
SMILESCOc1cccc(NC(=O)COc2ccc(C(=O)NCc3ccc(NC(=O)NC(C)C)cc3)cc2)c1
InChIInChI=1S/C27H30N4O5/c1-18(2)29-27(34)31-21-11-7-19(8-12-21)16-28-26(33)20-9-13-23(14-10-20)36-17-25(32)30-22-5-4-6-24(15-22)35-3/h4-15,18H,16-17H2,1-3H3,(H,28,33)(H,30,32)(H2,29,31,34)
InChIKeyDIYSFHCXFRPVCY-UHFFFAOYSA-N
MW490.56 g/mol
LogP4.17
Rot. Bonds10

About 4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide

4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide (PubChem CID 55693837) has the molecular formula C27H30N4O5 and a molecular weight of 490.56 g/mol. Its IUPAC name is 4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide
PubChem CID55693837
Molecular FormulaC27H30N4O5
Molecular Weight490.56 g/mol
Exact Mass490.22
IUPAC Name4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide
SMILESCOc1cccc(NC(=O)COc2ccc(C(=O)NCc3ccc(NC(=O)NC(C)C)cc3)cc2)c1
InChIInChI=1S/C27H30N4O5/c1-18(2)29-27(34)31-21-11-7-19(8-12-21)16-28-26(33)20-9-13-23(14-10-20)36-17-25(32)30-22-5-4-6-24(15-22)35-3/h4-15,18H,16-17H2,1-3H3,(H,28,33)(H,30,32)(H2,29,31,34)
InChIKeyDIYSFHCXFRPVCY-UHFFFAOYSA-N
XLogP4.17
TPSA117.79 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.56
LogP ≤ 54.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide with MolForge

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Related Compounds

4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 55589061
N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-4-(propan-2-ylcarbamoylamino)benzamide
CID 48503063
2-[3-[[[4-(propan-2-ylcarbamoylamino)benzoyl]amino]methyl]phenoxy]acetic acid
CID 119246830
4-[(3-methoxyphenyl)carbamoylamino]-N-propan-2-ylbenzamide
CID 17180581
3-methoxy-4-methyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide
CID 46456572
N-[[4-(phenoxymethyl)phenyl]methyl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 39509628
4-(propan-2-ylcarbamoylamino)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 55829604
4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-(2-phenoxyethyl)benzamide
CID 27758187
N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-2-(3-propan-2-ylphenoxy)acetamide
CID 55693906
4-ethoxy-N-[2-oxo-2-[[4-(propan-2-ylcarbamoylamino)phenyl]methylamino]ethyl]benzamide
CID 46465059
2-[4-(aminomethyl)phenoxy]-N-(3-methoxyphenyl)acetamide
CID 16795321
4-(aminomethyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide
CID 119293093

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide?
The IUPAC name of 4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide (CID 55693837) is 4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide.
What is the SMILES notation for 4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide?
The canonical SMILES for 4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide is COc1cccc(NC(=O)COc2ccc(C(=O)NCc3ccc(NC(=O)NC(C)C)cc3)cc2)c1.
What is the InChIKey of 4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide?
The InChIKey is DIYSFHCXFRPVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O5/c1-18(2)29-27(34)31-21-11-7-19(8-12-21)16-28-26(33)20-9-13-23(14-10-20)36-17-25(32)30-22-5-4-6-24(15-22)35-3/h4-15,18H,16-17H2,1-3H3,(H,28,33)(H,30,32)(H2,29,31,34).
What are the key properties of 4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide?
4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide has a molecular weight of 490.56 g/mol, XLogP of 4.17, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide is sourced from PubChem (CID 55693837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).