(2S)-2-amino-3-hydroxy-N-[4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexyl]propanamide

C24H30N2O4 — CID 122658193

IUPAC(2S)-2-amino-3-hydroxy-N-[4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexyl]propanamide
SMILESN[C@@H](CO)C(=O)NC1CCC(Oc2ccc3c(c2)CCC(c2ccccc2)O3)CC1
InChIInChI=1S/C24H30N2O4/c25-21(15-27)24(28)26-18-7-9-19(10-8-18)29-20-11-13-23-17(14-20)6-12-22(30-23)16-4-2-1-3-5-16/h1-5,11,13-14,18-19,21-22,27H,6-10,12,15,25H2,(H,26,28)/t18?,19?,21-,22?/m0/s1
InChIKeyFHBPJXGQHLSEMM-UWBXQEPYSA-N
MW410.51 g/mol
LogP2.88
Rot. Bonds6

About (2S)-2-amino-3-hydroxy-N-[4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexyl]propanamide

(2S)-2-amino-3-hydroxy-N-[4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexyl]propanamide (PubChem CID 122658193) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is (2S)-2-amino-3-hydroxy-N-[4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-hydroxy-N-[4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexyl]propanamide
PubChem CID122658193
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC Name(2S)-2-amino-3-hydroxy-N-[4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexyl]propanamide
SMILESN[C@@H](CO)C(=O)NC1CCC(Oc2ccc3c(c2)CCC(c2ccccc2)O3)CC1
InChIInChI=1S/C24H30N2O4/c25-21(15-27)24(28)26-18-7-9-19(10-8-18)29-20-11-13-23-17(14-20)6-12-22(30-23)16-4-2-1-3-5-16/h1-5,11,13-14,18-19,21-22,27H,6-10,12,15,25H2,(H,26,28)/t18?,19?,21-,22?/m0/s1
InChIKeyFHBPJXGQHLSEMM-UWBXQEPYSA-N
XLogP2.88
TPSA93.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S)-2-amino-3-hydroxy-N-[4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexyl]propanamide 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

3-methoxy-N-[4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexyl]propanamide
CID 142771428
N-[[4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexyl]methyl]acetamide
CID 122658487
N,N-bis(2-hydroxyethyl)-4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexane-1-carboxamide
CID 142771430
2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexyl]acetamide
CID 122658253
N-(3-methylsulfanylbutyl)-4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexan-1-amine
CID 122658381
N-[2-(oxan-4-yl)ethyl]-4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexan-1-amine
CID 122658448
N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexan-1-amine
CID 122658285
N-[4-[[2-(2-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]cyclohexyl]-2-methylsulfanylacetamide
CID 122658465
N-[4-[[2-(2-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]cyclohexyl]-3-methoxypropanamide
CID 122658397
1-methyl-4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]azepane
CID 70597681
1-(2-methylbutyl)-4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexan-1-amine
CID 142771464
1-(furan-3-ylmethyl)-4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexan-1-amine
CID 142771453

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-hydroxy-N-[4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexyl]propanamide?
The IUPAC name of (2S)-2-amino-3-hydroxy-N-[4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexyl]propanamide (CID 122658193) is (2S)-2-amino-3-hydroxy-N-[4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexyl]propanamide.
What is the SMILES notation for (2S)-2-amino-3-hydroxy-N-[4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexyl]propanamide?
The canonical SMILES for (2S)-2-amino-3-hydroxy-N-[4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexyl]propanamide is N[C@@H](CO)C(=O)NC1CCC(Oc2ccc3c(c2)CCC(c2ccccc2)O3)CC1.
What is the InChIKey of (2S)-2-amino-3-hydroxy-N-[4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexyl]propanamide?
The InChIKey is FHBPJXGQHLSEMM-UWBXQEPYSA-N. The full InChI is InChI=1S/C24H30N2O4/c25-21(15-27)24(28)26-18-7-9-19(10-8-18)29-20-11-13-23-17(14-20)6-12-22(30-23)16-4-2-1-3-5-16/h1-5,11,13-14,18-19,21-22,27H,6-10,12,15,25H2,(H,26,28)/t18?,19?,21-,22?/m0/s1.
What are the key properties of (2S)-2-amino-3-hydroxy-N-[4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexyl]propanamide?
(2S)-2-amino-3-hydroxy-N-[4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexyl]propanamide has a molecular weight of 410.51 g/mol, XLogP of 2.88, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-hydroxy-N-[4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexyl]propanamide is sourced from PubChem (CID 122658193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).