N-benzyl-2-[[(1R)-1-(3-methylphenyl)ethyl]amino]acetamide

C18H22N2O — CID 81367300

IUPACN-benzyl-2-[[(1R)-1-(3-methylphenyl)ethyl]amino]acetamide
SMILESCc1cccc([C@@H](C)NCC(=O)NCc2ccccc2)c1
InChIInChI=1S/C18H22N2O/c1-14-7-6-10-17(11-14)15(2)19-13-18(21)20-12-16-8-4-3-5-9-16/h3-11,15,19H,12-13H2,1-2H3,(H,20,21)/t15-/m1/s1
InChIKeyVXHUSPOEXCZTHY-OAHLLOKOSA-N
MW282.39 g/mol
LogP2.96
Rot. Bonds6

About N-benzyl-2-[[(1R)-1-(3-methylphenyl)ethyl]amino]acetamide

N-benzyl-2-[[(1R)-1-(3-methylphenyl)ethyl]amino]acetamide (PubChem CID 81367300) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-benzyl-2-[[(1R)-1-(3-methylphenyl)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[[(1R)-1-(3-methylphenyl)ethyl]amino]acetamide
PubChem CID81367300
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-benzyl-2-[[(1R)-1-(3-methylphenyl)ethyl]amino]acetamide
SMILESCc1cccc([C@@H](C)NCC(=O)NCc2ccccc2)c1
InChIInChI=1S/C18H22N2O/c1-14-7-6-10-17(11-14)15(2)19-13-18(21)20-12-16-8-4-3-5-9-16/h3-11,15,19H,12-13H2,1-2H3,(H,20,21)/t15-/m1/s1
InChIKeyVXHUSPOEXCZTHY-OAHLLOKOSA-N
XLogP2.96
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methylbutyl)-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]acetamide
CID 81360886
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-[(4-chlorophenyl)methyl]acetamide
CID 9307726
N-(4-methylphenyl)-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]acetamide
CID 81367523
N-(3-methoxypropyl)-2-[[(1R)-1-(3-methylphenyl)ethyl]amino]acetamide
CID 81361482
3-[[1-(3-methylphenyl)ethylamino]methyl]benzamide
CID 43778803
N,N-dimethyl-2-[[(1R)-1-(3-methylphenyl)ethyl]amino]acetamide
CID 81361311
N-benzyl-2-[[(1S)-1-(2-bromophenyl)ethyl]amino]acetamide
CID 81378591
N-benzyl-2-[1-(2-fluorophenyl)ethylamino]acetamide
CID 18086041
(E)-3-methyl-4-[[(1S)-1-(3-methylphenyl)ethyl]amino]but-2-enoic acid
CID 103258616
N-benzyl-2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetamide
CID 8917782
(1S)-N-[(4-ethylphenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81361545
(1R)-N-[(4-ethylphenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81364360

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[[(1R)-1-(3-methylphenyl)ethyl]amino]acetamide?
The IUPAC name of N-benzyl-2-[[(1R)-1-(3-methylphenyl)ethyl]amino]acetamide (CID 81367300) is N-benzyl-2-[[(1R)-1-(3-methylphenyl)ethyl]amino]acetamide.
What is the SMILES notation for N-benzyl-2-[[(1R)-1-(3-methylphenyl)ethyl]amino]acetamide?
The canonical SMILES for N-benzyl-2-[[(1R)-1-(3-methylphenyl)ethyl]amino]acetamide is Cc1cccc([C@@H](C)NCC(=O)NCc2ccccc2)c1.
What is the InChIKey of N-benzyl-2-[[(1R)-1-(3-methylphenyl)ethyl]amino]acetamide?
The InChIKey is VXHUSPOEXCZTHY-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H22N2O/c1-14-7-6-10-17(11-14)15(2)19-13-18(21)20-12-16-8-4-3-5-9-16/h3-11,15,19H,12-13H2,1-2H3,(H,20,21)/t15-/m1/s1.
What are the key properties of N-benzyl-2-[[(1R)-1-(3-methylphenyl)ethyl]amino]acetamide?
N-benzyl-2-[[(1R)-1-(3-methylphenyl)ethyl]amino]acetamide has a molecular weight of 282.39 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[[(1R)-1-(3-methylphenyl)ethyl]amino]acetamide is sourced from PubChem (CID 81367300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).