(2R)-N-[3-(cyclohexylmethylamino)-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide

C16H30N2O4 — CID 25172000

IUPAC(2R)-N-[3-(cyclohexylmethylamino)-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide
SMILESCC(C)(CO)[C@@H](O)C(=O)NCCC(=O)NCC1CCCCC1
InChIInChI=1S/C16H30N2O4/c1-16(2,11-19)14(21)15(22)17-9-8-13(20)18-10-12-6-4-3-5-7-12/h12,14,19,21H,3-11H2,1-2H3,(H,17,22)(H,18,20)/t14-/m0/s1
InChIKeyAQXYBDUDGHFVFR-AWEZNQCLSA-N
MW314.43 g/mol
LogP0.57
Rot. Bonds8

About (2R)-N-[3-(cyclohexylmethylamino)-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide

(2R)-N-[3-(cyclohexylmethylamino)-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide (PubChem CID 25172000) has the molecular formula C16H30N2O4 and a molecular weight of 314.43 g/mol. Its IUPAC name is (2R)-N-[3-(cyclohexylmethylamino)-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2R)-N-[3-(cyclohexylmethylamino)-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide
PubChem CID25172000
Molecular FormulaC16H30N2O4
Molecular Weight314.43 g/mol
Exact Mass314.22
IUPAC Name(2R)-N-[3-(cyclohexylmethylamino)-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide
SMILESCC(C)(CO)[C@@H](O)C(=O)NCCC(=O)NCC1CCCCC1
InChIInChI=1S/C16H30N2O4/c1-16(2,11-19)14(21)15(22)17-9-8-13(20)18-10-12-6-4-3-5-7-12/h12,14,19,21H,3-11H2,1-2H3,(H,17,22)(H,18,20)/t14-/m0/s1
InChIKeyAQXYBDUDGHFVFR-AWEZNQCLSA-N
XLogP0.57
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 50.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2R)-N-[3-(cyclohexylmethylamino)-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide 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

(2R)-N-[4-(cyclohexylmethylamino)-4-oxobutyl]-2,4-dihydroxy-3,3-dimethylbutanamide
CID 25169721
N-[3-(aminomethylamino)-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide
CID 145046694
2,4-dihydroxy-N-[3-(3-hydroxypropylamino)-3-oxopropyl]-3,3-dimethylbutanamide
CID 74426646
2,4-dihydroxy-3,3-dimethyl-N-[3-oxo-3-(2-sulfanylethylamino)propyl]butanamide;sulfane
CID 130431622
3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl](15N)amino](313C)propanoic acid
CID 101257666
tert-butyl 4-(cyclohexylmethylamino)-4-oxobutanoate
CID 106706920
N-(cyclohexylmethyl)-4-oxopentanamide
CID 60637241
CID 172837539
CID 172837539
(2R)-N-[3-[3-(dimethylamino)propylamino]-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide
CID 90682464
dicalcium;3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoyl 3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoate;hydride
CID 173070282
lithium;3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid;hydride
CID 174739358
(Z)-N-[[1-[3-[[(2S)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoyl]pyrrolidin-2-yl]methyl]octadec-9-enamide
CID 67795636

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-(cyclohexylmethylamino)-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide?
The IUPAC name of (2R)-N-[3-(cyclohexylmethylamino)-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide (CID 25172000) is (2R)-N-[3-(cyclohexylmethylamino)-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide.
What is the SMILES notation for (2R)-N-[3-(cyclohexylmethylamino)-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide?
The canonical SMILES for (2R)-N-[3-(cyclohexylmethylamino)-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide is CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)NCC1CCCCC1.
What is the InChIKey of (2R)-N-[3-(cyclohexylmethylamino)-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide?
The InChIKey is AQXYBDUDGHFVFR-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H30N2O4/c1-16(2,11-19)14(21)15(22)17-9-8-13(20)18-10-12-6-4-3-5-7-12/h12,14,19,21H,3-11H2,1-2H3,(H,17,22)(H,18,20)/t14-/m0/s1.
What are the key properties of (2R)-N-[3-(cyclohexylmethylamino)-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide?
(2R)-N-[3-(cyclohexylmethylamino)-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide has a molecular weight of 314.43 g/mol, XLogP of 0.57, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-(cyclohexylmethylamino)-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide is sourced from PubChem (CID 25172000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).