1-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]-4-methylcyclohexane-1-carboxylic acid

C20H28N2O4 — CID 120530042

IUPAC1-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]-4-methylcyclohexane-1-carboxylic acid
SMILESCC(=O)N(CCc1ccccc1)CC(=O)NC1(C(=O)O)CCC(C)CC1
InChIInChI=1S/C20H28N2O4/c1-15-8-11-20(12-9-15,19(25)26)21-18(24)14-22(16(2)23)13-10-17-6-4-3-5-7-17/h3-7,15H,8-14H2,1-2H3,(H,21,24)(H,25,26)
InChIKeyMJXLBEWCRRMDGP-UHFFFAOYSA-N
MW360.45 g/mol
LogP2.23
Rot. Bonds7

About 1-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]-4-methylcyclohexane-1-carboxylic acid

1-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]-4-methylcyclohexane-1-carboxylic acid (PubChem CID 120530042) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is 1-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]-4-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]-4-methylcyclohexane-1-carboxylic acid
PubChem CID120530042
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Name1-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]-4-methylcyclohexane-1-carboxylic acid
SMILESCC(=O)N(CCc1ccccc1)CC(=O)NC1(C(=O)O)CCC(C)CC1
InChIInChI=1S/C20H28N2O4/c1-15-8-11-20(12-9-15,19(25)26)21-18(24)14-22(16(2)23)13-10-17-6-4-3-5-7-17/h3-7,15H,8-14H2,1-2H3,(H,21,24)(H,25,26)
InChIKeyMJXLBEWCRRMDGP-UHFFFAOYSA-N
XLogP2.23
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]-4-methylcyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]-2-cyclopropylacetic acid
CID 120521212
4-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]cyclohexane-1-carboxylic acid
CID 120524552
N-(4-acetamidophenyl)-2-[acetyl(2-phenylethyl)amino]acetamide
CID 113164087
4-methyl-1-[(2-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 43341470
5-[[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]methyl]furan-2-carboxylic acid
CID 120527270
2-[acetyl(2-phenylethyl)amino]-N-(oxolan-2-ylmethyl)acetamide
CID 113163958
2-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]butanoic acid
CID 120523315
3-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]-3-phenylpropanoic acid
CID 120512417
4-[2-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]ethyl]benzoic acid
CID 120512997
1-[[4-(2-hydroxyethoxy)-3-(2-phenylethoxy)benzoyl]amino]-4-methylcyclohexane-1-carboxylic acid
CID 67170994
1-(butanoylamino)-4-methylcyclohexane-1-carboxylic acid
CID 43163089
N-[(1R,1aR,6aR)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-2-[acetyl(2-phenylethyl)amino]acetamide
CID 97103340

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]-4-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]-4-methylcyclohexane-1-carboxylic acid (CID 120530042) is 1-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]-4-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]-4-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]-4-methylcyclohexane-1-carboxylic acid is CC(=O)N(CCc1ccccc1)CC(=O)NC1(C(=O)O)CCC(C)CC1.
What is the InChIKey of 1-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]-4-methylcyclohexane-1-carboxylic acid?
The InChIKey is MJXLBEWCRRMDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-15-8-11-20(12-9-15,19(25)26)21-18(24)14-22(16(2)23)13-10-17-6-4-3-5-7-17/h3-7,15H,8-14H2,1-2H3,(H,21,24)(H,25,26).
What are the key properties of 1-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]-4-methylcyclohexane-1-carboxylic acid?
1-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]-4-methylcyclohexane-1-carboxylic acid has a molecular weight of 360.45 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]-4-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 120530042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).