N-(3-methylphenyl)-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide

C21H22N2O — CID 9396912

IUPACN-(3-methylphenyl)-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide
SMILESCc1cccc(NC(=O)CN[C@@H](C)c2cccc3ccccc23)c1
InChIInChI=1S/C21H22N2O/c1-15-7-5-10-18(13-15)23-21(24)14-22-16(2)19-12-6-9-17-8-3-4-11-20(17)19/h3-13,16,22H,14H2,1-2H3,(H,23,24)/t16-/m0/s1
InChIKeyWNPCXZMJSDEWOC-INIZCTEOSA-N
MW318.42 g/mol
LogP4.44
Rot. Bonds5

About N-(3-methylphenyl)-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide

N-(3-methylphenyl)-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide (PubChem CID 9396912) has the molecular formula C21H22N2O and a molecular weight of 318.42 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide
PubChem CID9396912
Molecular FormulaC21H22N2O
Molecular Weight318.42 g/mol
Exact Mass318.17
IUPAC NameN-(3-methylphenyl)-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide
SMILESCc1cccc(NC(=O)CN[C@@H](C)c2cccc3ccccc23)c1
InChIInChI=1S/C21H22N2O/c1-15-7-5-10-18(13-15)23-21(24)14-22-16(2)19-12-6-9-17-8-3-4-11-20(17)19/h3-13,16,22H,14H2,1-2H3,(H,23,24)/t16-/m0/s1
InChIKeyWNPCXZMJSDEWOC-INIZCTEOSA-N
XLogP4.44
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,5-dimethylphenyl)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9397108
N-(4-methylphenyl)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9396986
N-(3-methoxyphenyl)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9396909
4-[[2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetyl]amino]benzamide
CID 9397279
N-(2,4-dimethylphenyl)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9397239
N-(4-ethoxyphenyl)-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9397488
N-(2-methoxy-5-methylphenyl)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9396925
2-[[(1S)-1-naphthalen-1-ylethyl]amino]-N-(4-nitrophenyl)acetamide
CID 9397574
N-[(2,4-dimethylphenyl)carbamoyl]-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9396776
N-tert-butyl-2-(1-naphthalen-1-ylethylamino)acetamide
CID 78913257
2-[[2-(3-methylanilino)-2-oxoethyl]amino]propanoic acid
CID 43467219
N-(3-methylphenyl)-2-[[(1R)-1-pyridin-4-ylethyl]amino]acetamide
CID 81409885

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide?
The IUPAC name of N-(3-methylphenyl)-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide (CID 9396912) is N-(3-methylphenyl)-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide.
What is the SMILES notation for N-(3-methylphenyl)-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide?
The canonical SMILES for N-(3-methylphenyl)-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide is Cc1cccc(NC(=O)CN[C@@H](C)c2cccc3ccccc23)c1.
What is the InChIKey of N-(3-methylphenyl)-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide?
The InChIKey is WNPCXZMJSDEWOC-INIZCTEOSA-N. The full InChI is InChI=1S/C21H22N2O/c1-15-7-5-10-18(13-15)23-21(24)14-22-16(2)19-12-6-9-17-8-3-4-11-20(17)19/h3-13,16,22H,14H2,1-2H3,(H,23,24)/t16-/m0/s1.
What are the key properties of N-(3-methylphenyl)-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide?
N-(3-methylphenyl)-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide has a molecular weight of 318.42 g/mol, XLogP of 4.44, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide is sourced from PubChem (CID 9396912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).