N-(2-benzoylphenyl)-2-[(3-methylphenyl)carbamoylamino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide

C29H30N4O4 — CID 11038380

IUPACN-(2-benzoylphenyl)-2-[(3-methylphenyl)carbamoylamino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
SMILESCc1cccc(NC(=O)NCC(=O)N(CC(=O)N2CCCC2)c2ccccc2C(=O)c2ccccc2)c1
InChIInChI=1S/C29H30N4O4/c1-21-10-9-13-23(18-21)31-29(37)30-19-26(34)33(20-27(35)32-16-7-8-17-32)25-15-6-5-14-24(25)28(36)22-11-3-2-4-12-22/h2-6,9-15,18H,7-8,16-17,19-20H2,1H3,(H2,30,31,37)
InChIKeyCTBMZGMIICBVGU-UHFFFAOYSA-N
MW498.58 g/mol
LogP4.00
Rot. Bonds8

About N-(2-benzoylphenyl)-2-[(3-methylphenyl)carbamoylamino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide

N-(2-benzoylphenyl)-2-[(3-methylphenyl)carbamoylamino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide (PubChem CID 11038380) has the molecular formula C29H30N4O4 and a molecular weight of 498.58 g/mol. Its IUPAC name is N-(2-benzoylphenyl)-2-[(3-methylphenyl)carbamoylamino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide.

Molecular Properties

Compound NameN-(2-benzoylphenyl)-2-[(3-methylphenyl)carbamoylamino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
PubChem CID11038380
Molecular FormulaC29H30N4O4
Molecular Weight498.58 g/mol
Exact Mass498.23
IUPAC NameN-(2-benzoylphenyl)-2-[(3-methylphenyl)carbamoylamino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
SMILESCc1cccc(NC(=O)NCC(=O)N(CC(=O)N2CCCC2)c2ccccc2C(=O)c2ccccc2)c1
InChIInChI=1S/C29H30N4O4/c1-21-10-9-13-23(18-21)31-29(37)30-19-26(34)33(20-27(35)32-16-7-8-17-32)25-15-6-5-14-24(25)28(36)22-11-3-2-4-12-22/h2-6,9-15,18H,7-8,16-17,19-20H2,1H3,(H2,30,31,37)
InChIKeyCTBMZGMIICBVGU-UHFFFAOYSA-N
XLogP4.00
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.58
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-(2-benzoyl-N-[2-[(3-methylphenyl)carbamoylamino]acetyl]anilino)acetate
CID 18930576
N-[(3-aminophenyl)methyl]-N-(2-benzoylphenyl)-2-[(3-methylphenyl)carbamoylamino]acetamide
CID 18930664
ethyl 2-[[2-(N-methylanilino)-2-oxoethyl]-[2-[(3-methylphenyl)carbamoylamino]acetyl]amino]benzoate
CID 19002043
2-(N-[2-[(3-methylphenyl)carbamoylamino]acetyl]anilino)acetic acid
CID 18951141
N-[2-(3-methylanilino)-2-oxoethyl]-2-[(3-methylphenyl)carbamoylamino]-N-phenylacetamide
CID 14996931
1-(3-methylphenyl)-3-[2-oxo-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethyl]urea
CID 55678721
2-[2-[[2-(N-methylanilino)-2-oxoethyl]-[2-[(3-methylphenyl)carbamoylamino]acetyl]amino]phenyl]sulfanylacetic acid
CID 139763574
tert-butyl 2-(2-benzoyl-N-[2-[(4-chlorophenyl)carbamoylamino]acetyl]anilino)acetate
CID 18930619
N-(2-methyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-[(3-methylphenyl)carbamoylamino]acetamide
CID 100636715
N-[2-(benzylamino)-2-oxoethyl]-2-[(3-methylphenyl)carbamoylamino]-N-phenylacetamide
CID 14996884
1-[2-(azepan-1-yl)-2-oxoethyl]-3-phenylurea
CID 24583495
1-[2-[(3-methylphenyl)carbamoylamino]acetyl]pyrrolidine-3-carboxylic acid
CID 119353854

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoylphenyl)-2-[(3-methylphenyl)carbamoylamino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide?
The IUPAC name of N-(2-benzoylphenyl)-2-[(3-methylphenyl)carbamoylamino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide (CID 11038380) is N-(2-benzoylphenyl)-2-[(3-methylphenyl)carbamoylamino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide.
What is the SMILES notation for N-(2-benzoylphenyl)-2-[(3-methylphenyl)carbamoylamino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide?
The canonical SMILES for N-(2-benzoylphenyl)-2-[(3-methylphenyl)carbamoylamino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide is Cc1cccc(NC(=O)NCC(=O)N(CC(=O)N2CCCC2)c2ccccc2C(=O)c2ccccc2)c1.
What is the InChIKey of N-(2-benzoylphenyl)-2-[(3-methylphenyl)carbamoylamino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide?
The InChIKey is CTBMZGMIICBVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O4/c1-21-10-9-13-23(18-21)31-29(37)30-19-26(34)33(20-27(35)32-16-7-8-17-32)25-15-6-5-14-24(25)28(36)22-11-3-2-4-12-22/h2-6,9-15,18H,7-8,16-17,19-20H2,1H3,(H2,30,31,37).
What are the key properties of N-(2-benzoylphenyl)-2-[(3-methylphenyl)carbamoylamino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide?
N-(2-benzoylphenyl)-2-[(3-methylphenyl)carbamoylamino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide has a molecular weight of 498.58 g/mol, XLogP of 4.00, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoylphenyl)-2-[(3-methylphenyl)carbamoylamino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide is sourced from PubChem (CID 11038380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).