N-[2-methyl-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]naphthalene-1-carboxamide

C26H27N3O3 — CID 130372707

IUPACN-[2-methyl-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]naphthalene-1-carboxamide
SMILESCc1ccc(C(=O)NCCCN2CCCC2=O)cc1NC(=O)c1cccc2ccccc12
InChIInChI=1S/C26H27N3O3/c1-18-12-13-20(25(31)27-14-6-16-29-15-5-11-24(29)30)17-23(18)28-26(32)22-10-4-8-19-7-2-3-9-21(19)22/h2-4,7-10,12-13,17H,5-6,11,14-16H2,1H3,(H,27,31)(H,28,32)
InChIKeyFBDHLHUMJLOCQQ-UHFFFAOYSA-N
MW429.52 g/mol
LogP4.14
Rot. Bonds7

About N-[2-methyl-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]naphthalene-1-carboxamide

N-[2-methyl-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]naphthalene-1-carboxamide (PubChem CID 130372707) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is N-[2-methyl-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]naphthalene-1-carboxamide
PubChem CID130372707
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC NameN-[2-methyl-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]naphthalene-1-carboxamide
SMILESCc1ccc(C(=O)NCCCN2CCCC2=O)cc1NC(=O)c1cccc2ccccc12
InChIInChI=1S/C26H27N3O3/c1-18-12-13-20(25(31)27-14-6-16-29-15-5-11-24(29)30)17-23(18)28-26(32)22-10-4-8-19-7-2-3-9-21(19)22/h2-4,7-10,12-13,17H,5-6,11,14-16H2,1H3,(H,27,31)(H,28,32)
InChIKeyFBDHLHUMJLOCQQ-UHFFFAOYSA-N
XLogP4.14
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-acetamido-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 30482762
4-[4-(2-methylphenyl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-[[4-(trifluoromethyl)benzoyl]amino]benzamide
CID 71224768
3-[(2,4-dimethoxybenzoyl)amino]-4-[4-(2-methylphenyl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 71233946
2-methyl-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-1,3-thiazole-4-carboxamide
CID 71233957
N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-phenylbenzamide
CID 4787941
6-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]naphthalene-2-carboxamide
CID 24949519
3-chloro-4-iodo-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 103734648
2-methyl-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 71233954
tert-butyl N-[2-[[4-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]benzoyl]amino]phenyl]carbamate
CID 145482017
2-methyl-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-1,3-thiazole-5-carboxamide
CID 71234074
5-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]thiophene-3-carboxamide
CID 2225281
N-[2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-5-propan-2-ylthiophene-3-carboxamide
CID 71234088

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]naphthalene-1-carboxamide?
The IUPAC name of N-[2-methyl-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]naphthalene-1-carboxamide (CID 130372707) is N-[2-methyl-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[2-methyl-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[2-methyl-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]naphthalene-1-carboxamide is Cc1ccc(C(=O)NCCCN2CCCC2=O)cc1NC(=O)c1cccc2ccccc12.
What is the InChIKey of N-[2-methyl-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]naphthalene-1-carboxamide?
The InChIKey is FBDHLHUMJLOCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3/c1-18-12-13-20(25(31)27-14-6-16-29-15-5-11-24(29)30)17-23(18)28-26(32)22-10-4-8-19-7-2-3-9-21(19)22/h2-4,7-10,12-13,17H,5-6,11,14-16H2,1H3,(H,27,31)(H,28,32).
What are the key properties of N-[2-methyl-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]naphthalene-1-carboxamide?
N-[2-methyl-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]naphthalene-1-carboxamide has a molecular weight of 429.52 g/mol, XLogP of 4.14, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]naphthalene-1-carboxamide is sourced from PubChem (CID 130372707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).