N-(3-aminopropyl)-1-benzoyl-2-methylpyrrolidine-2-carboxamide

C16H23N3O2 — CID 119407893

IUPACN-(3-aminopropyl)-1-benzoyl-2-methylpyrrolidine-2-carboxamide
SMILESCC1(C(=O)NCCCN)CCCN1C(=O)c1ccccc1
InChIInChI=1S/C16H23N3O2/c1-16(15(21)18-11-6-10-17)9-5-12-19(16)14(20)13-7-3-2-4-8-13/h2-4,7-8H,5-6,9-12,17H2,1H3,(H,18,21)
InChIKeyMYMCLFQOZVWRNA-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.15
Rot. Bonds5

About N-(3-aminopropyl)-1-benzoyl-2-methylpyrrolidine-2-carboxamide

N-(3-aminopropyl)-1-benzoyl-2-methylpyrrolidine-2-carboxamide (PubChem CID 119407893) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-(3-aminopropyl)-1-benzoyl-2-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-1-benzoyl-2-methylpyrrolidine-2-carboxamide
PubChem CID119407893
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-(3-aminopropyl)-1-benzoyl-2-methylpyrrolidine-2-carboxamide
SMILESCC1(C(=O)NCCCN)CCCN1C(=O)c1ccccc1
InChIInChI=1S/C16H23N3O2/c1-16(15(21)18-11-6-10-17)9-5-12-19(16)14(20)13-7-3-2-4-8-13/h2-4,7-8H,5-6,9-12,17H2,1H3,(H,18,21)
InChIKeyMYMCLFQOZVWRNA-UHFFFAOYSA-N
XLogP1.15
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.15
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

6-[(1-benzoyl-2-methylpyrrolidine-2-carbonyl)amino]hexanoic acid
CID 75383687
cyclopropylmethyl 2-[(1-benzoyl-2-methylpyrrolidine-2-carbonyl)amino]acetate
CID 56805895
N-(2-amino-1-cyclopropylethyl)-1-benzoyl-2-methylpyrrolidine-2-carboxamide
CID 119616462
N-(4-aminocyclohexyl)-1-benzoyl-2-methylpyrrolidine-2-carboxamide
CID 119477845
1-benzoyl-2-methyl-N-pyridin-4-ylpyrrolidine-2-carboxamide
CID 154780029
1-benzoyl-N-[3-(carbamoylamino)phenyl]-2-methylpyrrolidine-2-carboxamide
CID 136526263
(2S)-1-benzoyl-2-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]piperidine-2-carboxamide
CID 97349528
1-benzoyl-2-methyl-N-(piperidin-3-ylmethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119463342
methyl 2-(2-aminoethyl)-1-benzoylpyrrolidine-2-carboxylate
CID 134859974
3-[4-[(1-benzoyl-2-methylpyrrolidine-2-carbonyl)amino]phenyl]-2-methylpropanoic acid
CID 120540910
1-benzoyl-N-(4-cyclopentylsulfonylphenyl)-2-methylpyrrolidine-2-carboxamide
CID 167910630
[2-[(3R)-3-aminopyrrolidine-1-carbonyl]-2-methylpyrrolidin-1-yl]-phenylmethanone
CID 119412358

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-1-benzoyl-2-methylpyrrolidine-2-carboxamide?
The IUPAC name of N-(3-aminopropyl)-1-benzoyl-2-methylpyrrolidine-2-carboxamide (CID 119407893) is N-(3-aminopropyl)-1-benzoyl-2-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-1-benzoyl-2-methylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-1-benzoyl-2-methylpyrrolidine-2-carboxamide is CC1(C(=O)NCCCN)CCCN1C(=O)c1ccccc1.
What is the InChIKey of N-(3-aminopropyl)-1-benzoyl-2-methylpyrrolidine-2-carboxamide?
The InChIKey is MYMCLFQOZVWRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-16(15(21)18-11-6-10-17)9-5-12-19(16)14(20)13-7-3-2-4-8-13/h2-4,7-8H,5-6,9-12,17H2,1H3,(H,18,21).
What are the key properties of N-(3-aminopropyl)-1-benzoyl-2-methylpyrrolidine-2-carboxamide?
N-(3-aminopropyl)-1-benzoyl-2-methylpyrrolidine-2-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-1-benzoyl-2-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 119407893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).