2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(2,4-dimethylphenyl)carbamoyl]propanamide

C18H28N4O2 — CID 120771397

IUPAC2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(2,4-dimethylphenyl)carbamoyl]propanamide
SMILESCc1ccc(NC(=O)NC(=O)C(C)N2CCC(C)(CN)C2)c(C)c1
InChIInChI=1S/C18H28N4O2/c1-12-5-6-15(13(2)9-12)20-17(24)21-16(23)14(3)22-8-7-18(4,10-19)11-22/h5-6,9,14H,7-8,10-11,19H2,1-4H3,(H2,20,21,23,24)
InChIKeyWCCCSBKXNZQWPL-UHFFFAOYSA-N
MW332.45 g/mol
LogP2.01
Rot. Bonds4

About 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(2,4-dimethylphenyl)carbamoyl]propanamide

2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(2,4-dimethylphenyl)carbamoyl]propanamide (PubChem CID 120771397) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(2,4-dimethylphenyl)carbamoyl]propanamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(2,4-dimethylphenyl)carbamoyl]propanamide
PubChem CID120771397
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(2,4-dimethylphenyl)carbamoyl]propanamide
SMILESCc1ccc(NC(=O)NC(=O)C(C)N2CCC(C)(CN)C2)c(C)c1
InChIInChI=1S/C18H28N4O2/c1-12-5-6-15(13(2)9-12)20-17(24)21-16(23)14(3)22-8-7-18(4,10-19)11-22/h5-6,9,14H,7-8,10-11,19H2,1-4H3,(H2,20,21,23,24)
InChIKeyWCCCSBKXNZQWPL-UHFFFAOYSA-N
XLogP2.01
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2,6-diethylphenyl)propanamide
CID 120771521
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2-propan-2-ylphenyl)propanamide;hydrochloride
CID 120771900
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide
CID 120771602
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 120771375
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(4-ethylphenyl)propanamide;hydrochloride
CID 120771539
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-(difluoromethoxy)phenyl]propanamide
CID 120772820
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide;hydrochloride
CID 120773515
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(4-methoxy-2-nitrophenyl)propanamide
CID 120771478
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-benzhydrylpropanamide
CID 120772324
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(1,3-benzodioxol-5-yl)propanamide
CID 120771976
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-tert-butylpropanamide
CID 120771899
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-propylpropanamide
CID 120772123

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(2,4-dimethylphenyl)carbamoyl]propanamide?
The IUPAC name of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(2,4-dimethylphenyl)carbamoyl]propanamide (CID 120771397) is 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(2,4-dimethylphenyl)carbamoyl]propanamide.
What is the SMILES notation for 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(2,4-dimethylphenyl)carbamoyl]propanamide?
The canonical SMILES for 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(2,4-dimethylphenyl)carbamoyl]propanamide is Cc1ccc(NC(=O)NC(=O)C(C)N2CCC(C)(CN)C2)c(C)c1.
What is the InChIKey of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(2,4-dimethylphenyl)carbamoyl]propanamide?
The InChIKey is WCCCSBKXNZQWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-12-5-6-15(13(2)9-12)20-17(24)21-16(23)14(3)22-8-7-18(4,10-19)11-22/h5-6,9,14H,7-8,10-11,19H2,1-4H3,(H2,20,21,23,24).
What are the key properties of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(2,4-dimethylphenyl)carbamoyl]propanamide?
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(2,4-dimethylphenyl)carbamoyl]propanamide has a molecular weight of 332.45 g/mol, XLogP of 2.01, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(2,4-dimethylphenyl)carbamoyl]propanamide is sourced from PubChem (CID 120771397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).