N-(3-amino-2-methylpropyl)-3-(pyrrolidin-1-ylmethyl)benzamide

C16H25N3O — CID 119997738

IUPACN-(3-amino-2-methylpropyl)-3-(pyrrolidin-1-ylmethyl)benzamide
SMILESCC(CN)CNC(=O)c1cccc(CN2CCCC2)c1
InChIInChI=1S/C16H25N3O/c1-13(10-17)11-18-16(20)15-6-4-5-14(9-15)12-19-7-2-3-8-19/h4-6,9,13H,2-3,7-8,10-12,17H2,1H3,(H,18,20)
InChIKeyAEWQZLZQMZOLKR-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.61
Rot. Bonds6

About N-(3-amino-2-methylpropyl)-3-(pyrrolidin-1-ylmethyl)benzamide

N-(3-amino-2-methylpropyl)-3-(pyrrolidin-1-ylmethyl)benzamide (PubChem CID 119997738) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-3-(pyrrolidin-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-3-(pyrrolidin-1-ylmethyl)benzamide
PubChem CID119997738
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-(3-amino-2-methylpropyl)-3-(pyrrolidin-1-ylmethyl)benzamide
SMILESCC(CN)CNC(=O)c1cccc(CN2CCCC2)c1
InChIInChI=1S/C16H25N3O/c1-13(10-17)11-18-16(20)15-6-4-5-14(9-15)12-19-7-2-3-8-19/h4-6,9,13H,2-3,7-8,10-12,17H2,1H3,(H,18,20)
InChIKeyAEWQZLZQMZOLKR-UHFFFAOYSA-N
XLogP1.61
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2-methylpropyl)-3-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride
CID 119995787
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 87025907
N-[2-(methylamino)ethyl]-3-(pyrrolidin-1-ylmethyl)benzamide;dihydrochloride
CID 119503445
2-[[3-(pyrrolidin-1-ylmethyl)benzoyl]amino]propanoic acid
CID 82043303
N-(3-amino-2-methylpropyl)-3-piperidin-1-ylsulfonylbenzamide;hydrochloride
CID 119996017
N-[2-(methylamino)propyl]-3-(morpholin-4-ylmethyl)benzamide
CID 120827373
3-hydroxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide
CID 62992034
N-[1-(aminomethyl)cyclopentyl]-3-(pyrrolidin-1-ylmethyl)benzamide
CID 119567704
3-(pyrrolidin-1-ylmethyl)benzoic acid
CID 16775864
3-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-N-(2-methylpropyl)benzamide
CID 111123246
3-(morpholin-4-ylmethyl)-N-[(2R)-2-phenylpropyl]benzamide
CID 95237190
(2S,3S)-3-methyl-2-[[3-(pyrrolidin-1-ylmethyl)benzoyl]amino]pentanoic acid
CID 92929044

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-3-(pyrrolidin-1-ylmethyl)benzamide?
The IUPAC name of N-(3-amino-2-methylpropyl)-3-(pyrrolidin-1-ylmethyl)benzamide (CID 119997738) is N-(3-amino-2-methylpropyl)-3-(pyrrolidin-1-ylmethyl)benzamide.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-3-(pyrrolidin-1-ylmethyl)benzamide?
The canonical SMILES for N-(3-amino-2-methylpropyl)-3-(pyrrolidin-1-ylmethyl)benzamide is CC(CN)CNC(=O)c1cccc(CN2CCCC2)c1.
What is the InChIKey of N-(3-amino-2-methylpropyl)-3-(pyrrolidin-1-ylmethyl)benzamide?
The InChIKey is AEWQZLZQMZOLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-13(10-17)11-18-16(20)15-6-4-5-14(9-15)12-19-7-2-3-8-19/h4-6,9,13H,2-3,7-8,10-12,17H2,1H3,(H,18,20).
What are the key properties of N-(3-amino-2-methylpropyl)-3-(pyrrolidin-1-ylmethyl)benzamide?
N-(3-amino-2-methylpropyl)-3-(pyrrolidin-1-ylmethyl)benzamide has a molecular weight of 275.40 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-3-(pyrrolidin-1-ylmethyl)benzamide is sourced from PubChem (CID 119997738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).