N-cyclopentyl-1-[4-(diethylamino)-2-methylphenyl]-5-oxopyrrolidine-3-carboxamide

C21H31N3O2 — CID 113191534

IUPACN-cyclopentyl-1-[4-(diethylamino)-2-methylphenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCN(CC)c1ccc(N2CC(C(=O)NC3CCCC3)CC2=O)c(C)c1
InChIInChI=1S/C21H31N3O2/c1-4-23(5-2)18-10-11-19(15(3)12-18)24-14-16(13-20(24)25)21(26)22-17-8-6-7-9-17/h10-12,16-17H,4-9,13-14H2,1-3H3,(H,22,26)
InChIKeyQPFNZAQRSMOJCM-UHFFFAOYSA-N
MW357.50 g/mol
LogP3.25
Rot. Bonds6

About N-cyclopentyl-1-[4-(diethylamino)-2-methylphenyl]-5-oxopyrrolidine-3-carboxamide

N-cyclopentyl-1-[4-(diethylamino)-2-methylphenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 113191534) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is N-cyclopentyl-1-[4-(diethylamino)-2-methylphenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-[4-(diethylamino)-2-methylphenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID113191534
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC NameN-cyclopentyl-1-[4-(diethylamino)-2-methylphenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCN(CC)c1ccc(N2CC(C(=O)NC3CCCC3)CC2=O)c(C)c1
InChIInChI=1S/C21H31N3O2/c1-4-23(5-2)18-10-11-19(15(3)12-18)24-14-16(13-20(24)25)21(26)22-17-8-6-7-9-17/h10-12,16-17H,4-9,13-14H2,1-3H3,(H,22,26)
InChIKeyQPFNZAQRSMOJCM-UHFFFAOYSA-N
XLogP3.25
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-1-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3160138
N-cyclooctyl-1-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17152206
(3S)-N-cyclohexyl-1-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7220443
(3S)-1-[4-(diethylamino)-2-methylphenyl]-5-oxopyrrolidine-3-carboxamide
CID 94675568
(3R)-1-[4-(diethylamino)-2-methylphenyl]-5-oxopyrrolidine-3-carbonyl chloride
CID 94675569
N-(4-chlorophenyl)-1-[4-(diethylamino)-2-methylphenyl]-5-oxopyrrolidine-3-carboxamide
CID 113191590
1-[4-(diethylamino)-2-methylphenyl]-N-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113191577
1-[4-(diethylamino)-2-methylphenyl]-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113191550
(3R)-N-cyclopropyl-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 124523094
N-cyclohexyl-4-[4-(diethylamino)-2-methylphenyl]piperazine-1-carboxamide
CID 113080706
(3R)-N-cyclohexyl-1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056500
N-cyclohexyl-1-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186367

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-[4-(diethylamino)-2-methylphenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-cyclopentyl-1-[4-(diethylamino)-2-methylphenyl]-5-oxopyrrolidine-3-carboxamide (CID 113191534) is N-cyclopentyl-1-[4-(diethylamino)-2-methylphenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-[4-(diethylamino)-2-methylphenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-cyclopentyl-1-[4-(diethylamino)-2-methylphenyl]-5-oxopyrrolidine-3-carboxamide is CCN(CC)c1ccc(N2CC(C(=O)NC3CCCC3)CC2=O)c(C)c1.
What is the InChIKey of N-cyclopentyl-1-[4-(diethylamino)-2-methylphenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is QPFNZAQRSMOJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-4-23(5-2)18-10-11-19(15(3)12-18)24-14-16(13-20(24)25)21(26)22-17-8-6-7-9-17/h10-12,16-17H,4-9,13-14H2,1-3H3,(H,22,26).
What are the key properties of N-cyclopentyl-1-[4-(diethylamino)-2-methylphenyl]-5-oxopyrrolidine-3-carboxamide?
N-cyclopentyl-1-[4-(diethylamino)-2-methylphenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 357.50 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-[4-(diethylamino)-2-methylphenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 113191534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).