N-[4-methyl-3-[(4-phenylmethoxybenzoyl)amino]phenyl]-3-morpholin-4-ylbenzamide

C32H31N3O4 — CID 22291046

IUPACN-[4-methyl-3-[(4-phenylmethoxybenzoyl)amino]phenyl]-3-morpholin-4-ylbenzamide
SMILESCc1ccc(NC(=O)c2cccc(N3CCOCC3)c2)cc1NC(=O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C32H31N3O4/c1-23-10-13-27(33-32(37)26-8-5-9-28(20-26)35-16-18-38-19-17-35)21-30(23)34-31(36)25-11-14-29(15-12-25)39-22-24-6-3-2-4-7-24/h2-15,20-21H,16-19,22H2,1H3,(H,33,37)(H,34,36)
InChIKeyVCCDQSPTHMYMNR-UHFFFAOYSA-N
MW521.62 g/mol
LogP5.92
Rot. Bonds8

About N-[4-methyl-3-[(4-phenylmethoxybenzoyl)amino]phenyl]-3-morpholin-4-ylbenzamide

N-[4-methyl-3-[(4-phenylmethoxybenzoyl)amino]phenyl]-3-morpholin-4-ylbenzamide (PubChem CID 22291046) has the molecular formula C32H31N3O4 and a molecular weight of 521.62 g/mol. Its IUPAC name is N-[4-methyl-3-[(4-phenylmethoxybenzoyl)amino]phenyl]-3-morpholin-4-ylbenzamide.

Molecular Properties

Compound NameN-[4-methyl-3-[(4-phenylmethoxybenzoyl)amino]phenyl]-3-morpholin-4-ylbenzamide
PubChem CID22291046
Molecular FormulaC32H31N3O4
Molecular Weight521.62 g/mol
Exact Mass521.23
IUPAC NameN-[4-methyl-3-[(4-phenylmethoxybenzoyl)amino]phenyl]-3-morpholin-4-ylbenzamide
SMILESCc1ccc(NC(=O)c2cccc(N3CCOCC3)c2)cc1NC(=O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C32H31N3O4/c1-23-10-13-27(33-32(37)26-8-5-9-28(20-26)35-16-18-38-19-17-35)21-30(23)34-31(36)25-11-14-29(15-12-25)39-22-24-6-3-2-4-7-24/h2-15,20-21H,16-19,22H2,1H3,(H,33,37)(H,34,36)
InChIKeyVCCDQSPTHMYMNR-UHFFFAOYSA-N
XLogP5.92
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.62
LogP ≤ 55.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-[(4-phenylmethoxybenzoyl)amino]phenyl]-3-morpholin-4-ylbenzamide?
The IUPAC name of N-[4-methyl-3-[(4-phenylmethoxybenzoyl)amino]phenyl]-3-morpholin-4-ylbenzamide (CID 22291046) is N-[4-methyl-3-[(4-phenylmethoxybenzoyl)amino]phenyl]-3-morpholin-4-ylbenzamide.
What is the SMILES notation for N-[4-methyl-3-[(4-phenylmethoxybenzoyl)amino]phenyl]-3-morpholin-4-ylbenzamide?
The canonical SMILES for N-[4-methyl-3-[(4-phenylmethoxybenzoyl)amino]phenyl]-3-morpholin-4-ylbenzamide is Cc1ccc(NC(=O)c2cccc(N3CCOCC3)c2)cc1NC(=O)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of N-[4-methyl-3-[(4-phenylmethoxybenzoyl)amino]phenyl]-3-morpholin-4-ylbenzamide?
The InChIKey is VCCDQSPTHMYMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31N3O4/c1-23-10-13-27(33-32(37)26-8-5-9-28(20-26)35-16-18-38-19-17-35)21-30(23)34-31(36)25-11-14-29(15-12-25)39-22-24-6-3-2-4-7-24/h2-15,20-21H,16-19,22H2,1H3,(H,33,37)(H,34,36).
What are the key properties of N-[4-methyl-3-[(4-phenylmethoxybenzoyl)amino]phenyl]-3-morpholin-4-ylbenzamide?
N-[4-methyl-3-[(4-phenylmethoxybenzoyl)amino]phenyl]-3-morpholin-4-ylbenzamide has a molecular weight of 521.62 g/mol, XLogP of 5.92, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-[(4-phenylmethoxybenzoyl)amino]phenyl]-3-morpholin-4-ylbenzamide is sourced from PubChem (CID 22291046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).