N-(2-amino-1-naphthalen-2-ylethyl)-3-(pyrrolidin-1-ylmethyl)benzamide

C24H27N3O — CID 120567447

IUPACN-(2-amino-1-naphthalen-2-ylethyl)-3-(pyrrolidin-1-ylmethyl)benzamide
SMILESNCC(NC(=O)c1cccc(CN2CCCC2)c1)c1ccc2ccccc2c1
InChIInChI=1S/C24H27N3O/c25-16-23(21-11-10-19-7-1-2-8-20(19)15-21)26-24(28)22-9-5-6-18(14-22)17-27-12-3-4-13-27/h1-2,5-11,14-15,23H,3-4,12-13,16-17,25H2,(H,26,28)
InChIKeyMONXZSXAMCSQHZ-UHFFFAOYSA-N
MW373.50 g/mol
LogP3.87
Rot. Bonds6

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

N-(2-amino-1-naphthalen-2-ylethyl)-3-(pyrrolidin-1-ylmethyl)benzamide (PubChem CID 120567447) has the molecular formula C24H27N3O and a molecular weight of 373.50 g/mol. Its IUPAC name is N-(2-amino-1-naphthalen-2-ylethyl)-3-(pyrrolidin-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(2-amino-1-naphthalen-2-ylethyl)-3-(pyrrolidin-1-ylmethyl)benzamide
PubChem CID120567447
Molecular FormulaC24H27N3O
Molecular Weight373.50 g/mol
Exact Mass373.22
IUPAC NameN-(2-amino-1-naphthalen-2-ylethyl)-3-(pyrrolidin-1-ylmethyl)benzamide
SMILESNCC(NC(=O)c1cccc(CN2CCCC2)c1)c1ccc2ccccc2c1
InChIInChI=1S/C24H27N3O/c25-16-23(21-11-10-19-7-1-2-8-20(19)15-21)26-24(28)22-9-5-6-18(14-22)17-27-12-3-4-13-27/h1-2,5-11,14-15,23H,3-4,12-13,16-17,25H2,(H,26,28)
InChIKeyMONXZSXAMCSQHZ-UHFFFAOYSA-N
XLogP3.87
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-1-naphthalen-2-ylethyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide;hydrochloride
CID 120568008
2-[[3-(pyrrolidin-1-ylmethyl)benzoyl]amino]propanoic acid
CID 82043303
N-(3-amino-2-methylpropyl)-3-(pyrrolidin-1-ylmethyl)benzamide
CID 119997738
N-(2-amino-1-naphthalen-2-ylethyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 120567521
N-(2-amino-1-naphthalen-2-ylethyl)-2-(2-oxoazocan-1-yl)acetamide
CID 120567789
N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-3-(pyrazol-1-ylmethyl)benzamide
CID 97137368
N-(2-amino-1-naphthalen-2-ylethyl)-4-benzylmorpholine-2-carboxamide;dihydrochloride
CID 120567890
N-[1-[2-(difluoromethoxy)phenyl]propyl]-3-(pyrrolidin-1-ylmethyl)benzamide
CID 60560678
N-[1-(aminomethyl)cyclopentyl]-3-(pyrrolidin-1-ylmethyl)benzamide
CID 119567704
3-(pyrrolidin-1-ylmethyl)benzoic acid
CID 16775864
1-N-(2-amino-1-naphthalen-2-ylethyl)cyclohexane-1,3-dicarboxamide
CID 167749206
N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]naphthalene-2-carboxamide
CID 9049744

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-naphthalen-2-ylethyl)-3-(pyrrolidin-1-ylmethyl)benzamide?
The IUPAC name of N-(2-amino-1-naphthalen-2-ylethyl)-3-(pyrrolidin-1-ylmethyl)benzamide (CID 120567447) is N-(2-amino-1-naphthalen-2-ylethyl)-3-(pyrrolidin-1-ylmethyl)benzamide.
What is the SMILES notation for N-(2-amino-1-naphthalen-2-ylethyl)-3-(pyrrolidin-1-ylmethyl)benzamide?
The canonical SMILES for N-(2-amino-1-naphthalen-2-ylethyl)-3-(pyrrolidin-1-ylmethyl)benzamide is NCC(NC(=O)c1cccc(CN2CCCC2)c1)c1ccc2ccccc2c1.
What is the InChIKey of N-(2-amino-1-naphthalen-2-ylethyl)-3-(pyrrolidin-1-ylmethyl)benzamide?
The InChIKey is MONXZSXAMCSQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O/c25-16-23(21-11-10-19-7-1-2-8-20(19)15-21)26-24(28)22-9-5-6-18(14-22)17-27-12-3-4-13-27/h1-2,5-11,14-15,23H,3-4,12-13,16-17,25H2,(H,26,28).
What are the key properties of N-(2-amino-1-naphthalen-2-ylethyl)-3-(pyrrolidin-1-ylmethyl)benzamide?
N-(2-amino-1-naphthalen-2-ylethyl)-3-(pyrrolidin-1-ylmethyl)benzamide has a molecular weight of 373.50 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-naphthalen-2-ylethyl)-3-(pyrrolidin-1-ylmethyl)benzamide is sourced from PubChem (CID 120567447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).