1-acetyl-N-(3-aminopropyl)-N-benzylpyrrolidine-2-carboxamide

C17H25N3O2 — CID 120649215

IUPAC1-acetyl-N-(3-aminopropyl)-N-benzylpyrrolidine-2-carboxamide
SMILESCC(=O)N1CCCC1C(=O)N(CCCN)Cc1ccccc1
InChIInChI=1S/C17H25N3O2/c1-14(21)20-12-5-9-16(20)17(22)19(11-6-10-18)13-15-7-3-2-4-8-15/h2-4,7-8,16H,5-6,9-13,18H2,1H3
InChIKeyIUOUCBIHXVQVSP-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.37
Rot. Bonds6

About 1-acetyl-N-(3-aminopropyl)-N-benzylpyrrolidine-2-carboxamide

1-acetyl-N-(3-aminopropyl)-N-benzylpyrrolidine-2-carboxamide (PubChem CID 120649215) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-acetyl-N-(3-aminopropyl)-N-benzylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(3-aminopropyl)-N-benzylpyrrolidine-2-carboxamide
PubChem CID120649215
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name1-acetyl-N-(3-aminopropyl)-N-benzylpyrrolidine-2-carboxamide
SMILESCC(=O)N1CCCC1C(=O)N(CCCN)Cc1ccccc1
InChIInChI=1S/C17H25N3O2/c1-14(21)20-12-5-9-16(20)17(22)19(11-6-10-18)13-15-7-3-2-4-8-15/h2-4,7-8,16H,5-6,9-13,18H2,1H3
InChIKeyIUOUCBIHXVQVSP-UHFFFAOYSA-N
XLogP1.37
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-N-benzyl-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide;hydrochloride
CID 120649649
N-(3-aminopropyl)-N-benzyl-2,2-dimethylcyclopropane-1-carboxamide
CID 107366064
N-(3-aminopropyl)-N-benzyl-3-propanoyl-1,3-thiazolidine-4-carboxamide
CID 120649915
tert-butyl 2-[benzyl(2-hydroxyethyl)carbamoyl]pyrrolidine-1-carboxylate
CID 78854083
1-acetyl-N-ethyl-N-(pyridin-4-ylmethyl)piperidine-2-carboxamide
CID 146086260
N-(3-aminopropyl)-N-benzyl-1-butanoylpiperidine-3-carboxamide;hydrochloride
CID 120648128
N-(3-aminopropyl)-N-benzyl-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide
CID 120649665
(2S)-2-N-(2-aminoethyl)-2-N-benzyl-1-N-[4-(trifluoromethoxy)phenyl]pyrrolidine-1,2-dicarboxamide;ethane
CID 142087147
N-benzyl-1-(2,5-dichlorobenzoyl)-N-(2-hydroxyethyl)pyrrolidine-2-carboxamide
CID 78860043
N-(3-aminopropyl)-N-benzyl-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 120648552
N-(3-aminopropyl)-N-benzyloxane-4-carboxamide
CID 107366082
N-(3-aminopropyl)-N-benzylazepane-1-carboxamide
CID 107366335

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(3-aminopropyl)-N-benzylpyrrolidine-2-carboxamide?
The IUPAC name of 1-acetyl-N-(3-aminopropyl)-N-benzylpyrrolidine-2-carboxamide (CID 120649215) is 1-acetyl-N-(3-aminopropyl)-N-benzylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-acetyl-N-(3-aminopropyl)-N-benzylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-acetyl-N-(3-aminopropyl)-N-benzylpyrrolidine-2-carboxamide is CC(=O)N1CCCC1C(=O)N(CCCN)Cc1ccccc1.
What is the InChIKey of 1-acetyl-N-(3-aminopropyl)-N-benzylpyrrolidine-2-carboxamide?
The InChIKey is IUOUCBIHXVQVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-14(21)20-12-5-9-16(20)17(22)19(11-6-10-18)13-15-7-3-2-4-8-15/h2-4,7-8,16H,5-6,9-13,18H2,1H3.
What are the key properties of 1-acetyl-N-(3-aminopropyl)-N-benzylpyrrolidine-2-carboxamide?
1-acetyl-N-(3-aminopropyl)-N-benzylpyrrolidine-2-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(3-aminopropyl)-N-benzylpyrrolidine-2-carboxamide is sourced from PubChem (CID 120649215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).