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

C17H32N2O4 — CID 25169721

IUPAC(2R)-N-[4-(cyclohexylmethylamino)-4-oxobutyl]-2,4-dihydroxy-3,3-dimethylbutanamide
SMILESCC(C)(CO)[C@@H](O)C(=O)NCCCC(=O)NCC1CCCCC1
InChIInChI=1S/C17H32N2O4/c1-17(2,12-20)15(22)16(23)18-10-6-9-14(21)19-11-13-7-4-3-5-8-13/h13,15,20,22H,3-12H2,1-2H3,(H,18,23)(H,19,21)/t15-/m0/s1
InChIKeyVUIPWPQBEIVJLS-HNNXBMFYSA-N
MW328.45 g/mol
LogP0.96
Rot. Bonds9

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

(2R)-N-[4-(cyclohexylmethylamino)-4-oxobutyl]-2,4-dihydroxy-3,3-dimethylbutanamide (PubChem CID 25169721) has the molecular formula C17H32N2O4 and a molecular weight of 328.45 g/mol. Its IUPAC name is (2R)-N-[4-(cyclohexylmethylamino)-4-oxobutyl]-2,4-dihydroxy-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2R)-N-[4-(cyclohexylmethylamino)-4-oxobutyl]-2,4-dihydroxy-3,3-dimethylbutanamide
PubChem CID25169721
Molecular FormulaC17H32N2O4
Molecular Weight328.45 g/mol
Exact Mass328.24
IUPAC Name(2R)-N-[4-(cyclohexylmethylamino)-4-oxobutyl]-2,4-dihydroxy-3,3-dimethylbutanamide
SMILESCC(C)(CO)[C@@H](O)C(=O)NCCCC(=O)NCC1CCCCC1
InChIInChI=1S/C17H32N2O4/c1-17(2,12-20)15(22)16(23)18-10-6-9-14(21)19-11-13-7-4-3-5-8-13/h13,15,20,22H,3-12H2,1-2H3,(H,18,23)(H,19,21)/t15-/m0/s1
InChIKeyVUIPWPQBEIVJLS-HNNXBMFYSA-N
XLogP0.96
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.45
LogP ≤ 50.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-[3-(cyclohexylmethylamino)-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide
CID 25172000
6-(carbamoylamino)-N-(cyclohexylmethyl)hexanamide
CID 39969417
(Z)-N-[[1-[3-[[(2S)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoyl]pyrrolidin-2-yl]methyl]octadec-9-enamide
CID 67795636
tert-butyl 4-(cyclohexylmethylamino)-4-oxobutanoate
CID 106706920
N-(cyclohexylmethyl)-4-oxopentanamide
CID 60637241
4-amino-N-(cyclopentylmethyl)butanamide
CID 43371168
N-(cyclopropylmethyl)-4-(methylamino)butanamide
CID 60841851
(2R)-N-[3-[3-(dimethylamino)propylamino]-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide
CID 90682464
N-[3-(aminomethylamino)-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide
CID 145046694
6-amino-N-(cyclohexylmethyl)hexanamide
CID 43371592
2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutanamide;ethoxyethane
CID 87265025
(2R)-N-[2-(3-ethoxypropanoylamino)ethyl]-2,4-dihydroxy-3,3-dimethylbutanamide
CID 121329384

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-(cyclohexylmethylamino)-4-oxobutyl]-2,4-dihydroxy-3,3-dimethylbutanamide?
The IUPAC name of (2R)-N-[4-(cyclohexylmethylamino)-4-oxobutyl]-2,4-dihydroxy-3,3-dimethylbutanamide (CID 25169721) is (2R)-N-[4-(cyclohexylmethylamino)-4-oxobutyl]-2,4-dihydroxy-3,3-dimethylbutanamide.
What is the SMILES notation for (2R)-N-[4-(cyclohexylmethylamino)-4-oxobutyl]-2,4-dihydroxy-3,3-dimethylbutanamide?
The canonical SMILES for (2R)-N-[4-(cyclohexylmethylamino)-4-oxobutyl]-2,4-dihydroxy-3,3-dimethylbutanamide is CC(C)(CO)[C@@H](O)C(=O)NCCCC(=O)NCC1CCCCC1.
What is the InChIKey of (2R)-N-[4-(cyclohexylmethylamino)-4-oxobutyl]-2,4-dihydroxy-3,3-dimethylbutanamide?
The InChIKey is VUIPWPQBEIVJLS-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H32N2O4/c1-17(2,12-20)15(22)16(23)18-10-6-9-14(21)19-11-13-7-4-3-5-8-13/h13,15,20,22H,3-12H2,1-2H3,(H,18,23)(H,19,21)/t15-/m0/s1.
What are the key properties of (2R)-N-[4-(cyclohexylmethylamino)-4-oxobutyl]-2,4-dihydroxy-3,3-dimethylbutanamide?
(2R)-N-[4-(cyclohexylmethylamino)-4-oxobutyl]-2,4-dihydroxy-3,3-dimethylbutanamide has a molecular weight of 328.45 g/mol, XLogP of 0.96, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-(cyclohexylmethylamino)-4-oxobutyl]-2,4-dihydroxy-3,3-dimethylbutanamide is sourced from PubChem (CID 25169721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).