N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide

C32H31N3O7 — CID 3554862

IUPACN-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide
SMILESCCOc1ccc(NC(=O)c2ccc(NC(=O)c3ccc(OCC(=O)Nc4ccccc4OC)c(OC)c3)cc2)cc1
InChIInChI=1S/C32H31N3O7/c1-4-41-25-16-14-24(15-17-25)33-31(37)21-9-12-23(13-10-21)34-32(38)22-11-18-28(29(19-22)40-3)42-20-30(36)35-26-7-5-6-8-27(26)39-2/h5-19H,4,20H2,1-3H3,(H,33,37)(H,34,38)(H,35,36)
InChIKeyVZTCCKOXDFBZHA-UHFFFAOYSA-N
MW569.61 g/mol
LogP5.62
Rot. Bonds12

About N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide

N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide (PubChem CID 3554862) has the molecular formula C32H31N3O7 and a molecular weight of 569.61 g/mol. Its IUPAC name is N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide.

Molecular Properties

Compound NameN-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide
PubChem CID3554862
Molecular FormulaC32H31N3O7
Molecular Weight569.61 g/mol
Exact Mass569.22
IUPAC NameN-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide
SMILESCCOc1ccc(NC(=O)c2ccc(NC(=O)c3ccc(OCC(=O)Nc4ccccc4OC)c(OC)c3)cc2)cc1
InChIInChI=1S/C32H31N3O7/c1-4-41-25-16-14-24(15-17-25)33-31(37)21-9-12-23(13-10-21)34-32(38)22-11-18-28(29(19-22)40-3)42-20-30(36)35-26-7-5-6-8-27(26)39-2/h5-19H,4,20H2,1-3H3,(H,33,37)(H,34,38)(H,35,36)
InChIKeyVZTCCKOXDFBZHA-UHFFFAOYSA-N
XLogP5.62
TPSA124.22 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.61
LogP ≤ 55.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide with MolForge

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Related Compounds

N-[4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]benzamide
CID 9252851
N-(3-iodophenyl)-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide
CID 2418372
4-[[2-(4-chlorophenoxy)acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 7816201
3,4-diethoxy-N-(2-methoxyphenyl)benzamide
CID 669527
4-N-(4-ethoxyphenyl)-2-N-(2-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109093012
N-(2-methoxyphenyl)-4-[(4-propoxybenzoyl)amino]benzamide
CID 4879742
4-methoxy-N-[(E)-[3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 126011349
N-(2-ethoxyphenyl)-4-[(4-methoxybenzoyl)amino]benzamide
CID 2222263
ethyl N-[2-[[3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzoyl]amino]ethyl]carbamate
CID 56558869
N-[4-[[2-(4-ethoxyphenoxy)acetyl]amino]-2,5-dimethoxyphenyl]benzamide
CID 19180542
4-[[4-(2-amino-2-oxoethoxy)benzoyl]amino]-N-(2-methoxyphenyl)benzamide
CID 9083669
N-benzyl-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide
CID 9114511

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide?
The IUPAC name of N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide (CID 3554862) is N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide.
What is the SMILES notation for N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide?
The canonical SMILES for N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide is CCOc1ccc(NC(=O)c2ccc(NC(=O)c3ccc(OCC(=O)Nc4ccccc4OC)c(OC)c3)cc2)cc1.
What is the InChIKey of N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide?
The InChIKey is VZTCCKOXDFBZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31N3O7/c1-4-41-25-16-14-24(15-17-25)33-31(37)21-9-12-23(13-10-21)34-32(38)22-11-18-28(29(19-22)40-3)42-20-30(36)35-26-7-5-6-8-27(26)39-2/h5-19H,4,20H2,1-3H3,(H,33,37)(H,34,38)(H,35,36).
What are the key properties of N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide?
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide has a molecular weight of 569.61 g/mol, XLogP of 5.62, 12 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide is sourced from PubChem (CID 3554862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).