(4S)-N-cyclohexyl-4-(2-methylpropanoylamino)oxy-4-phenylbutanamide

C20H30N2O3 — CID 139119403

IUPAC(4S)-N-cyclohexyl-4-(2-methylpropanoylamino)oxy-4-phenylbutanamide
SMILESCC(C)C(=O)NO[C@@H](CCC(=O)NC1CCCCC1)c1ccccc1
InChIInChI=1S/C20H30N2O3/c1-15(2)20(24)22-25-18(16-9-5-3-6-10-16)13-14-19(23)21-17-11-7-4-8-12-17/h3,5-6,9-10,15,17-18H,4,7-8,11-14H2,1-2H3,(H,21,23)(H,22,24)/t18-/m0/s1
InChIKeyIPCFCLKOXHEUQZ-SFHVURJKSA-N
MW346.47 g/mol
LogP3.66
Rot. Bonds8

About (4S)-N-cyclohexyl-4-(2-methylpropanoylamino)oxy-4-phenylbutanamide

(4S)-N-cyclohexyl-4-(2-methylpropanoylamino)oxy-4-phenylbutanamide (PubChem CID 139119403) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is (4S)-N-cyclohexyl-4-(2-methylpropanoylamino)oxy-4-phenylbutanamide.

Molecular Properties

Compound Name(4S)-N-cyclohexyl-4-(2-methylpropanoylamino)oxy-4-phenylbutanamide
PubChem CID139119403
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name(4S)-N-cyclohexyl-4-(2-methylpropanoylamino)oxy-4-phenylbutanamide
SMILESCC(C)C(=O)NO[C@@H](CCC(=O)NC1CCCCC1)c1ccccc1
InChIInChI=1S/C20H30N2O3/c1-15(2)20(24)22-25-18(16-9-5-3-6-10-16)13-14-19(23)21-17-11-7-4-8-12-17/h3,5-6,9-10,15,17-18H,4,7-8,11-14H2,1-2H3,(H,21,23)(H,22,24)/t18-/m0/s1
InChIKeyIPCFCLKOXHEUQZ-SFHVURJKSA-N
XLogP3.66
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 57345502
D-erythro-MAPP
CID 124735
(S)-6-(4-fluorophenethylamino)-2-((R)-2-(4-fluorophenyl)-2-methoxyethyl)-N-hydroxyhexanamide
CID 25164605
(S)-7-(4-fluorophenethylamino)-2-((R)-2-(4-fluorophenyl)-2-methoxyethyl)-N-hydroxyheptanamide
CID 54584002
N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]tetradecanamide
CID 6610217
2-amino-N-[3-(dimethylamino)propyl]-N-phenylmethoxydodecanamide;dihydrochloride
CID 52944847
2-[2-Aminododecanoyl(phenylmethoxy)amino]ethyl-trimethylazanium;chloride;hydrochloride
CID 118705559
2-[2-Aminohexadecanoyl(phenylmethoxy)amino]ethyl-trimethylazanium;chloride;hydrochloride
CID 118705560
2-[2-Aminoicosanoyl(phenylmethoxy)amino]ethyl-trimethylazanium;chloride;hydrochloride
CID 118705561
2-(1-Methyl-2-phenylacetamidoethyl)amino-1-phenylethanol
CID 22769491
N-[1-[(2-hydroxy-2-phenylethyl)amino]propan-2-yl]-2-phenylacetamide
CID 44271029
N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]tetradecanamide
CID 44454902

Frequently Asked Questions

What is the IUPAC name of (4S)-N-cyclohexyl-4-(2-methylpropanoylamino)oxy-4-phenylbutanamide?
The IUPAC name of (4S)-N-cyclohexyl-4-(2-methylpropanoylamino)oxy-4-phenylbutanamide (CID 139119403) is (4S)-N-cyclohexyl-4-(2-methylpropanoylamino)oxy-4-phenylbutanamide.
What is the SMILES notation for (4S)-N-cyclohexyl-4-(2-methylpropanoylamino)oxy-4-phenylbutanamide?
The canonical SMILES for (4S)-N-cyclohexyl-4-(2-methylpropanoylamino)oxy-4-phenylbutanamide is CC(C)C(=O)NO[C@@H](CCC(=O)NC1CCCCC1)c1ccccc1.
What is the InChIKey of (4S)-N-cyclohexyl-4-(2-methylpropanoylamino)oxy-4-phenylbutanamide?
The InChIKey is IPCFCLKOXHEUQZ-SFHVURJKSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-15(2)20(24)22-25-18(16-9-5-3-6-10-16)13-14-19(23)21-17-11-7-4-8-12-17/h3,5-6,9-10,15,17-18H,4,7-8,11-14H2,1-2H3,(H,21,23)(H,22,24)/t18-/m0/s1.
What are the key properties of (4S)-N-cyclohexyl-4-(2-methylpropanoylamino)oxy-4-phenylbutanamide?
(4S)-N-cyclohexyl-4-(2-methylpropanoylamino)oxy-4-phenylbutanamide has a molecular weight of 346.47 g/mol, XLogP of 3.66, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-cyclohexyl-4-(2-methylpropanoylamino)oxy-4-phenylbutanamide is sourced from PubChem (CID 139119403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).