N-[(2,4-dimethylphenyl)carbamoyl]-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide

C23H25N3O2 — CID 9396776

IUPACN-[(2,4-dimethylphenyl)carbamoyl]-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide
SMILESCc1ccc(NC(=O)NC(=O)CN[C@@H](C)c2cccc3ccccc23)c(C)c1
InChIInChI=1S/C23H25N3O2/c1-15-11-12-21(16(2)13-15)25-23(28)26-22(27)14-24-17(3)19-10-6-8-18-7-4-5-9-20(18)19/h4-13,17,24H,14H2,1-3H3,(H2,25,26,27,28)/t17-/m0/s1
InChIKeyCHMMTPGBTQRZKH-KRWDZBQOSA-N
MW375.47 g/mol
LogP4.46
Rot. Bonds5

About N-[(2,4-dimethylphenyl)carbamoyl]-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide

N-[(2,4-dimethylphenyl)carbamoyl]-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide (PubChem CID 9396776) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)carbamoyl]-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)carbamoyl]-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide
PubChem CID9396776
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC NameN-[(2,4-dimethylphenyl)carbamoyl]-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide
SMILESCc1ccc(NC(=O)NC(=O)CN[C@@H](C)c2cccc3ccccc23)c(C)c1
InChIInChI=1S/C23H25N3O2/c1-15-11-12-21(16(2)13-15)25-23(28)26-22(27)14-24-17(3)19-10-6-8-18-7-4-5-9-20(18)19/h4-13,17,24H,14H2,1-3H3,(H2,25,26,27,28)/t17-/m0/s1
InChIKeyCHMMTPGBTQRZKH-KRWDZBQOSA-N
XLogP4.46
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dimethylphenyl)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9397239
N-[(2,4-dimethylphenyl)carbamoyl]-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 8898040
2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-[(2,4-dimethylphenyl)carbamoyl]acetamide
CID 9307643
2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-N-[(2,4-dimethylphenyl)carbamoyl]acetamide
CID 9369354
N-(3-methylphenyl)-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9396912
N-(4-methylphenyl)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9396986
N-(2-methoxy-5-methylphenyl)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9396925
N-(3,5-dimethylphenyl)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9397108
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9396732
4-[[2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetyl]amino]benzamide
CID 9397279
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9396682
N-(2-methoxyphenyl)-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9397269

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)carbamoyl]-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide?
The IUPAC name of N-[(2,4-dimethylphenyl)carbamoyl]-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide (CID 9396776) is N-[(2,4-dimethylphenyl)carbamoyl]-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide.
What is the SMILES notation for N-[(2,4-dimethylphenyl)carbamoyl]-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide?
The canonical SMILES for N-[(2,4-dimethylphenyl)carbamoyl]-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide is Cc1ccc(NC(=O)NC(=O)CN[C@@H](C)c2cccc3ccccc23)c(C)c1.
What is the InChIKey of N-[(2,4-dimethylphenyl)carbamoyl]-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide?
The InChIKey is CHMMTPGBTQRZKH-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-15-11-12-21(16(2)13-15)25-23(28)26-22(27)14-24-17(3)19-10-6-8-18-7-4-5-9-20(18)19/h4-13,17,24H,14H2,1-3H3,(H2,25,26,27,28)/t17-/m0/s1.
What are the key properties of N-[(2,4-dimethylphenyl)carbamoyl]-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide?
N-[(2,4-dimethylphenyl)carbamoyl]-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide has a molecular weight of 375.47 g/mol, XLogP of 4.46, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethylphenyl)carbamoyl]-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide is sourced from PubChem (CID 9396776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).