N,2-dimethyl-3-[methyl-[[4-(3-methylpyrrolidin-1-yl)phenyl]carbamoyl]amino]propanamide

C18H28N4O2 — CID 75376318

IUPACN,2-dimethyl-3-[methyl-[[4-(3-methylpyrrolidin-1-yl)phenyl]carbamoyl]amino]propanamide
SMILESCNC(=O)C(C)CN(C)C(=O)Nc1ccc(N2CCC(C)C2)cc1
InChIInChI=1S/C18H28N4O2/c1-13-9-10-22(11-13)16-7-5-15(6-8-16)20-18(24)21(4)12-14(2)17(23)19-3/h5-8,13-14H,9-12H2,1-4H3,(H,19,23)(H,20,24)
InChIKeyLOPNVIHBMDWRQX-UHFFFAOYSA-N
MW332.45 g/mol
LogP2.38
Rot. Bonds5

About N,2-dimethyl-3-[methyl-[[4-(3-methylpyrrolidin-1-yl)phenyl]carbamoyl]amino]propanamide

N,2-dimethyl-3-[methyl-[[4-(3-methylpyrrolidin-1-yl)phenyl]carbamoyl]amino]propanamide (PubChem CID 75376318) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is N,2-dimethyl-3-[methyl-[[4-(3-methylpyrrolidin-1-yl)phenyl]carbamoyl]amino]propanamide.

Molecular Properties

Compound NameN,2-dimethyl-3-[methyl-[[4-(3-methylpyrrolidin-1-yl)phenyl]carbamoyl]amino]propanamide
PubChem CID75376318
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC NameN,2-dimethyl-3-[methyl-[[4-(3-methylpyrrolidin-1-yl)phenyl]carbamoyl]amino]propanamide
SMILESCNC(=O)C(C)CN(C)C(=O)Nc1ccc(N2CCC(C)C2)cc1
InChIInChI=1S/C18H28N4O2/c1-13-9-10-22(11-13)16-7-5-15(6-8-16)20-18(24)21(4)12-14(2)17(23)19-3/h5-8,13-14H,9-12H2,1-4H3,(H,19,23)(H,20,24)
InChIKeyLOPNVIHBMDWRQX-UHFFFAOYSA-N
XLogP2.38
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.38
H-Bond Donors ≤ 52
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

1-Phenyl-3-(1-propionylpiperidin-4-yl)urea
CID 47379737
1-Cyclohexyl-3-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]urea
CID 25263989
4-acetyl-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]piperazine-1-carboxamide
CID 25264262
N-(4-fluorophenyl)-N'-(3-pyrrolidin-1-ylpropyl)urea
CID 2059381
N-(4-acetamidophenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 3156931
5-Methyl-3-phenylimidazolidine-2,4-dione
CID 5146782
1-cyclohexyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 2883505
N1-phenylpiperidine-1,4-dicarboxamide
CID 769265
(2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylbutanoyl]-N-phenylpyrrolidine-2-carboxamide
CID 23646334
N-cyclopropyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 3127068
N-[3-(propylcarbamoylamino)phenyl]acetamide
CID 6468901
N-(2-Methylphenyl)-N'-[3-(2-oxo-1-pyrrolidinyl)propyl]urea
CID 24818661

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-3-[methyl-[[4-(3-methylpyrrolidin-1-yl)phenyl]carbamoyl]amino]propanamide?
The IUPAC name of N,2-dimethyl-3-[methyl-[[4-(3-methylpyrrolidin-1-yl)phenyl]carbamoyl]amino]propanamide (CID 75376318) is N,2-dimethyl-3-[methyl-[[4-(3-methylpyrrolidin-1-yl)phenyl]carbamoyl]amino]propanamide.
What is the SMILES notation for N,2-dimethyl-3-[methyl-[[4-(3-methylpyrrolidin-1-yl)phenyl]carbamoyl]amino]propanamide?
The canonical SMILES for N,2-dimethyl-3-[methyl-[[4-(3-methylpyrrolidin-1-yl)phenyl]carbamoyl]amino]propanamide is CNC(=O)C(C)CN(C)C(=O)Nc1ccc(N2CCC(C)C2)cc1.
What is the InChIKey of N,2-dimethyl-3-[methyl-[[4-(3-methylpyrrolidin-1-yl)phenyl]carbamoyl]amino]propanamide?
The InChIKey is LOPNVIHBMDWRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-13-9-10-22(11-13)16-7-5-15(6-8-16)20-18(24)21(4)12-14(2)17(23)19-3/h5-8,13-14H,9-12H2,1-4H3,(H,19,23)(H,20,24).
What are the key properties of N,2-dimethyl-3-[methyl-[[4-(3-methylpyrrolidin-1-yl)phenyl]carbamoyl]amino]propanamide?
N,2-dimethyl-3-[methyl-[[4-(3-methylpyrrolidin-1-yl)phenyl]carbamoyl]amino]propanamide has a molecular weight of 332.45 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-3-[methyl-[[4-(3-methylpyrrolidin-1-yl)phenyl]carbamoyl]amino]propanamide is sourced from PubChem (CID 75376318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).