(3R)-3-amino-4-cyclohexyl-1-(1-naphthalen-1-ylethylamino)-1-oxobutan-2-olate

C22H29N2O2- — CID 144731844

IUPAC(3R)-3-amino-4-cyclohexyl-1-(1-naphthalen-1-ylethylamino)-1-oxobutan-2-olate
SMILESCC(NC(=O)C([O-])[C@H](N)CC1CCCCC1)c1cccc2ccccc12
InChIInChI=1S/C22H29N2O2/c1-15(18-13-7-11-17-10-5-6-12-19(17)18)24-22(26)21(25)20(23)14-16-8-3-2-4-9-16/h5-7,10-13,15-16,20-21H,2-4,8-9,14,23H2,1H3,(H,24,26)/q-1/t15?,20-,21?/m1/s1
InChIKeyIXBQFOBDBODNAI-VZDHWGDASA-N
MW353.49 g/mol
LogP3.04
Rot. Bonds6

About (3R)-3-amino-4-cyclohexyl-1-(1-naphthalen-1-ylethylamino)-1-oxobutan-2-olate

(3R)-3-amino-4-cyclohexyl-1-(1-naphthalen-1-ylethylamino)-1-oxobutan-2-olate (PubChem CID 144731844) has the molecular formula C22H29N2O2- and a molecular weight of 353.49 g/mol. Its IUPAC name is (3R)-3-amino-4-cyclohexyl-1-(1-naphthalen-1-ylethylamino)-1-oxobutan-2-olate.

Molecular Properties

Compound Name(3R)-3-amino-4-cyclohexyl-1-(1-naphthalen-1-ylethylamino)-1-oxobutan-2-olate
PubChem CID144731844
Molecular FormulaC22H29N2O2-
Molecular Weight353.49 g/mol
Exact Mass353.22
IUPAC Name(3R)-3-amino-4-cyclohexyl-1-(1-naphthalen-1-ylethylamino)-1-oxobutan-2-olate
SMILESCC(NC(=O)C([O-])[C@H](N)CC1CCCCC1)c1cccc2ccccc12
InChIInChI=1S/C22H29N2O2/c1-15(18-13-7-11-17-10-5-6-12-19(17)18)24-22(26)21(25)20(23)14-16-8-3-2-4-9-16/h5-7,10-13,15-16,20-21H,2-4,8-9,14,23H2,1H3,(H,24,26)/q-1/t15?,20-,21?/m1/s1
InChIKeyIXBQFOBDBODNAI-VZDHWGDASA-N
XLogP3.04
TPSA78.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R)-3-amino-4-cyclohexyl-1-(1-naphthalen-1-ylethylamino)-1-oxobutan-2-olate 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-amino-N-(1-naphthalen-1-ylethyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120784151
2-cycloheptyl-1-naphthalen-1-ylethanamine
CID 114457695
(3R)-3-amino-2-[5-[(3R)-3-amino-4-cyclohexyl-1-(1-naphthalen-1-ylethylamino)-1-oxobutan-2-yl]oxy-5-methylhexan-2-yl]oxy-N-[2-(2-chlorophenyl)ethyl]-4-cyclohexylbutanamide
CID 146608273
N'-(1-naphthalen-1-ylethyl)-N-[(1S)-1-naphthalen-1-ylethyl]oxamide
CID 90809930
2-(cyclopropylmethylamino)-N-(1-naphthalen-1-ylethyl)acetamide;hydrochloride
CID 119687005
1-cyclohexyl-3-[(1S)-1-naphthalen-1-ylethyl]thiourea
CID 8724805
molecular hydrogen;N-[(1R)-1-naphthalen-1-ylethyl]cyclohexanamine
CID 143807841
2-bromo-3-methyl-N-(1-naphthalen-1-ylethyl)butanamide
CID 43346795
N-[(2S,3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]naphthalene-1-carboxamide;hydrochloride
CID 70090671
2-amino-2-naphthalen-1-yl-N-propan-2-ylacetamide
CID 23548500
3-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[(1S)-1-naphthalen-1-ylethyl]propanamide
CID 26180252
N-(1-naphthalen-1-ylethyl)propanamide
CID 13202765

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-4-cyclohexyl-1-(1-naphthalen-1-ylethylamino)-1-oxobutan-2-olate?
The IUPAC name of (3R)-3-amino-4-cyclohexyl-1-(1-naphthalen-1-ylethylamino)-1-oxobutan-2-olate (CID 144731844) is (3R)-3-amino-4-cyclohexyl-1-(1-naphthalen-1-ylethylamino)-1-oxobutan-2-olate.
What is the SMILES notation for (3R)-3-amino-4-cyclohexyl-1-(1-naphthalen-1-ylethylamino)-1-oxobutan-2-olate?
The canonical SMILES for (3R)-3-amino-4-cyclohexyl-1-(1-naphthalen-1-ylethylamino)-1-oxobutan-2-olate is CC(NC(=O)C([O-])[C@H](N)CC1CCCCC1)c1cccc2ccccc12.
What is the InChIKey of (3R)-3-amino-4-cyclohexyl-1-(1-naphthalen-1-ylethylamino)-1-oxobutan-2-olate?
The InChIKey is IXBQFOBDBODNAI-VZDHWGDASA-N. The full InChI is InChI=1S/C22H29N2O2/c1-15(18-13-7-11-17-10-5-6-12-19(17)18)24-22(26)21(25)20(23)14-16-8-3-2-4-9-16/h5-7,10-13,15-16,20-21H,2-4,8-9,14,23H2,1H3,(H,24,26)/q-1/t15?,20-,21?/m1/s1.
What are the key properties of (3R)-3-amino-4-cyclohexyl-1-(1-naphthalen-1-ylethylamino)-1-oxobutan-2-olate?
(3R)-3-amino-4-cyclohexyl-1-(1-naphthalen-1-ylethylamino)-1-oxobutan-2-olate has a molecular weight of 353.49 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-4-cyclohexyl-1-(1-naphthalen-1-ylethylamino)-1-oxobutan-2-olate is sourced from PubChem (CID 144731844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).