3-acetamido-N-(2-amino-1-naphthalen-2-ylethyl)-3-(4-methylphenyl)propanamide;hydrochloride

C24H28ClN3O2 — CID 120567798

IUPAC3-acetamido-N-(2-amino-1-naphthalen-2-ylethyl)-3-(4-methylphenyl)propanamide;hydrochloride
SMILESCC(=O)NC(CC(=O)NC(CN)c1ccc2ccccc2c1)c1ccc(C)cc1.Cl
InChIInChI=1S/C24H27N3O2.ClH/c1-16-7-9-19(10-8-16)22(26-17(2)28)14-24(29)27-23(15-25)21-12-11-18-5-3-4-6-20(18)13-21;/h3-13,22-23H,14-15,25H2,1-2H3,(H,26,28)(H,27,29);1H
InChIKeyOLJFCFSAKWYGSL-UHFFFAOYSA-N
MW425.96 g/mol
LogP3.95
Rot. Bonds7

About 3-acetamido-N-(2-amino-1-naphthalen-2-ylethyl)-3-(4-methylphenyl)propanamide;hydrochloride

3-acetamido-N-(2-amino-1-naphthalen-2-ylethyl)-3-(4-methylphenyl)propanamide;hydrochloride (PubChem CID 120567798) has the molecular formula C24H28ClN3O2 and a molecular weight of 425.96 g/mol. Its IUPAC name is 3-acetamido-N-(2-amino-1-naphthalen-2-ylethyl)-3-(4-methylphenyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-acetamido-N-(2-amino-1-naphthalen-2-ylethyl)-3-(4-methylphenyl)propanamide;hydrochloride
PubChem CID120567798
Molecular FormulaC24H28ClN3O2
Molecular Weight425.96 g/mol
Exact Mass425.19
IUPAC Name3-acetamido-N-(2-amino-1-naphthalen-2-ylethyl)-3-(4-methylphenyl)propanamide;hydrochloride
SMILESCC(=O)NC(CC(=O)NC(CN)c1ccc2ccccc2c1)c1ccc(C)cc1.Cl
InChIInChI=1S/C24H27N3O2.ClH/c1-16-7-9-19(10-8-16)22(26-17(2)28)14-24(29)27-23(15-25)21-12-11-18-5-3-4-6-20(18)13-21;/h3-13,22-23H,14-15,25H2,1-2H3,(H,26,28)(H,27,29);1H
InChIKeyOLJFCFSAKWYGSL-UHFFFAOYSA-N
XLogP3.95
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.96
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-N-(2-amino-1-naphthalen-2-ylethyl)-3-(4-methylphenyl)propanamide
CID 120567799
N-(2-amino-1-naphthalen-2-ylethyl)-3-methylbutanamide
CID 120567667
3-amino-N-(2-amino-1-naphthalen-2-ylethyl)propanamide
CID 122081221
N-[2-[(2-amino-1-naphthalen-2-ylethyl)amino]-2-oxoethyl]-3,3-dimethylbutanamide;hydrochloride
CID 120567986
N-(2-amino-1-naphthalen-2-ylethyl)-4-methylsulfanylbutanamide;hydrochloride
CID 120567970
3-acetamido-N-(1-aminohexan-2-yl)-3-(4-methylphenyl)propanamide
CID 119668025
2-phenoxyethyl 3-acetamido-3-(4-methylphenyl)propanoate
CID 86906524
(2S)-2-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]propanoic acid
CID 119238260
(3R)-3-acetamido-3-(4-methylphenyl)propanoic acid
CID 25323198
propan-2-yl 3-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-3-(4-methylphenyl)propanoate
CID 46690699
3-acetamido-N-(3-aminobutyl)-3-(4-methylphenyl)propanamide
CID 119498760
3-acetamido-N-[3-(aminomethyl)pentan-3-yl]-3-(4-methylphenyl)propanamide;hydrochloride
CID 119571395

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(2-amino-1-naphthalen-2-ylethyl)-3-(4-methylphenyl)propanamide;hydrochloride?
The IUPAC name of 3-acetamido-N-(2-amino-1-naphthalen-2-ylethyl)-3-(4-methylphenyl)propanamide;hydrochloride (CID 120567798) is 3-acetamido-N-(2-amino-1-naphthalen-2-ylethyl)-3-(4-methylphenyl)propanamide;hydrochloride.
What is the SMILES notation for 3-acetamido-N-(2-amino-1-naphthalen-2-ylethyl)-3-(4-methylphenyl)propanamide;hydrochloride?
The canonical SMILES for 3-acetamido-N-(2-amino-1-naphthalen-2-ylethyl)-3-(4-methylphenyl)propanamide;hydrochloride is CC(=O)NC(CC(=O)NC(CN)c1ccc2ccccc2c1)c1ccc(C)cc1.Cl.
What is the InChIKey of 3-acetamido-N-(2-amino-1-naphthalen-2-ylethyl)-3-(4-methylphenyl)propanamide;hydrochloride?
The InChIKey is OLJFCFSAKWYGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2.ClH/c1-16-7-9-19(10-8-16)22(26-17(2)28)14-24(29)27-23(15-25)21-12-11-18-5-3-4-6-20(18)13-21;/h3-13,22-23H,14-15,25H2,1-2H3,(H,26,28)(H,27,29);1H.
What are the key properties of 3-acetamido-N-(2-amino-1-naphthalen-2-ylethyl)-3-(4-methylphenyl)propanamide;hydrochloride?
3-acetamido-N-(2-amino-1-naphthalen-2-ylethyl)-3-(4-methylphenyl)propanamide;hydrochloride has a molecular weight of 425.96 g/mol, XLogP of 3.95, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(2-amino-1-naphthalen-2-ylethyl)-3-(4-methylphenyl)propanamide;hydrochloride is sourced from PubChem (CID 120567798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).