N-(1-amino-4-phenylbutan-2-yl)-N-methyl-2-phenylbenzamide

C24H26N2O — CID 68727121

IUPACN-(1-amino-4-phenylbutan-2-yl)-N-methyl-2-phenylbenzamide
SMILESCN(C(=O)c1ccccc1-c1ccccc1)C(CN)CCc1ccccc1
InChIInChI=1S/C24H26N2O/c1-26(21(18-25)17-16-19-10-4-2-5-11-19)24(27)23-15-9-8-14-22(23)20-12-6-3-7-13-20/h2-15,21H,16-18,25H2,1H3
InChIKeyDCKDTVUHNMRQKJ-UHFFFAOYSA-N
MW358.49 g/mol
LogP4.39
Rot. Bonds7

About N-(1-amino-4-phenylbutan-2-yl)-N-methyl-2-phenylbenzamide

N-(1-amino-4-phenylbutan-2-yl)-N-methyl-2-phenylbenzamide (PubChem CID 68727121) has the molecular formula C24H26N2O and a molecular weight of 358.49 g/mol. Its IUPAC name is N-(1-amino-4-phenylbutan-2-yl)-N-methyl-2-phenylbenzamide.

Molecular Properties

Compound NameN-(1-amino-4-phenylbutan-2-yl)-N-methyl-2-phenylbenzamide
PubChem CID68727121
Molecular FormulaC24H26N2O
Molecular Weight358.49 g/mol
Exact Mass358.20
IUPAC NameN-(1-amino-4-phenylbutan-2-yl)-N-methyl-2-phenylbenzamide
SMILESCN(C(=O)c1ccccc1-c1ccccc1)C(CN)CCc1ccccc1
InChIInChI=1S/C24H26N2O/c1-26(21(18-25)17-16-19-10-4-2-5-11-19)24(27)23-15-9-8-14-22(23)20-12-6-3-7-13-20/h2-15,21H,16-18,25H2,1H3
InChIKeyDCKDTVUHNMRQKJ-UHFFFAOYSA-N
XLogP4.39
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-1-amino-4-phenylbutan-2-yl]-2-phenylbenzamide
CID 68727278
N-[(2R)-1-amino-1-oxopropan-2-yl]-N-methyl-2-phenylbenzamide
CID 68727641
N-(1-amino-4-methyl-1-oxopentan-2-yl)-N-methyl-2-phenylbenzamide
CID 68728016
N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-N-methyl-2-phenylbenzamide
CID 68728242
N-[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]-N-methyl-2-phenylbenzamide
CID 68726081
N-[5-amino-1-oxo-1-(2-phenylethylamino)pentan-2-yl]-2-phenylbenzamide
CID 123327979
N-(1-amino-1-oxo-4-phenylbutan-2-yl)-2-phenylbenzamide
CID 68725551
2-amino-N-[4-(cyclodecapentaenyl)butan-2-yl]-N-methylacetamide
CID 123171697
2-[3-[2-[di(propan-2-yl)carbamoyl]phenyl]phenyl]acetic acid
CID 122558233
N-[(2R)-1-amino-3-phenylpropan-2-yl]-2-phenylbenzamide
CID 68724752
N-[1-[(5-chloro-2-pyridinyl)amino]-4-methylpentan-2-yl]-N-methyl-2-phenylbenzamide
CID 131985638
tert-butyl N-(1-amino-6-phenylhexan-3-yl)-N-methylcarbamate
CID 123267739

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-phenylbutan-2-yl)-N-methyl-2-phenylbenzamide?
The IUPAC name of N-(1-amino-4-phenylbutan-2-yl)-N-methyl-2-phenylbenzamide (CID 68727121) is N-(1-amino-4-phenylbutan-2-yl)-N-methyl-2-phenylbenzamide.
What is the SMILES notation for N-(1-amino-4-phenylbutan-2-yl)-N-methyl-2-phenylbenzamide?
The canonical SMILES for N-(1-amino-4-phenylbutan-2-yl)-N-methyl-2-phenylbenzamide is CN(C(=O)c1ccccc1-c1ccccc1)C(CN)CCc1ccccc1.
What is the InChIKey of N-(1-amino-4-phenylbutan-2-yl)-N-methyl-2-phenylbenzamide?
The InChIKey is DCKDTVUHNMRQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O/c1-26(21(18-25)17-16-19-10-4-2-5-11-19)24(27)23-15-9-8-14-22(23)20-12-6-3-7-13-20/h2-15,21H,16-18,25H2,1H3.
What are the key properties of N-(1-amino-4-phenylbutan-2-yl)-N-methyl-2-phenylbenzamide?
N-(1-amino-4-phenylbutan-2-yl)-N-methyl-2-phenylbenzamide has a molecular weight of 358.49 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-phenylbutan-2-yl)-N-methyl-2-phenylbenzamide is sourced from PubChem (CID 68727121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).