(2R,3S,4S)-4-hydroxy-2,3-dimethyl-N,N-di(propan-2-yl)pentanamide

C13H27NO2 — CID 10988048

IUPAC(2R,3S,4S)-4-hydroxy-2,3-dimethyl-N,N-di(propan-2-yl)pentanamide
SMILESCC(C)N(C(=O)[C@H](C)[C@H](C)[C@H](C)O)C(C)C
InChIInChI=1S/C13H27NO2/c1-8(2)14(9(3)4)13(16)11(6)10(5)12(7)15/h8-12,15H,1-7H3/t10-,11+,12-/m0/s1
InChIKeyPKEBNJYKIJBBII-TUAOUCFPSA-N
MW229.36 g/mol
LogP2.28
Rot. Bonds5

About (2R,3S,4S)-4-hydroxy-2,3-dimethyl-N,N-di(propan-2-yl)pentanamide

(2R,3S,4S)-4-hydroxy-2,3-dimethyl-N,N-di(propan-2-yl)pentanamide (PubChem CID 10988048) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is (2R,3S,4S)-4-hydroxy-2,3-dimethyl-N,N-di(propan-2-yl)pentanamide.

Molecular Properties

Compound Name(2R,3S,4S)-4-hydroxy-2,3-dimethyl-N,N-di(propan-2-yl)pentanamide
PubChem CID10988048
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name(2R,3S,4S)-4-hydroxy-2,3-dimethyl-N,N-di(propan-2-yl)pentanamide
SMILESCC(C)N(C(=O)[C@H](C)[C@H](C)[C@H](C)O)C(C)C
InChIInChI=1S/C13H27NO2/c1-8(2)14(9(3)4)13(16)11(6)10(5)12(7)15/h8-12,15H,1-7H3/t10-,11+,12-/m0/s1
InChIKeyPKEBNJYKIJBBII-TUAOUCFPSA-N
XLogP2.28
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3R,4R)-4-hydroxy-2,3-dimethyl-4-phenyl-N,N-di(propan-2-yl)butanamide
CID 102092739
2,3-dihydroxy-N',N'-di(propan-2-yl)butanediamide
CID 54099311
(4S)-4-hydroxy-2,3-dimethylpentanoic acid
CID 146599798
(2R,3S,4S)-4-hydroxy-4-(4-methoxyphenyl)-2,3-dimethyl-N,N-di(propan-2-yl)butanamide
CID 15248153
2-deuterio-2-methyl-N,N-di(propan-2-yl)propanamide
CID 11457949
2-hydroxy-N,N-di(propan-2-yl)butanamide
CID 71365964
(2R)-2-amino-4-hydroxy-3-methylpentanoic acid
CID 89103200
(2S,3S)-2-amino-4-hydroxy-3-methylpentanoic acid
CID 55283948
ethyl (3S,4R)-5-[di(propan-2-yl)amino]-3,4-dimethyl-5-oxopentanoate
CID 134905505
(Z,2R)-2,3-dimethyl-N,N-di(propan-2-yl)pent-3-enamide
CID 14921251
(Z,2S)-2,3-dimethyl-N,N-di(propan-2-yl)pent-3-enamide
CID 101053961
(2S)-2-amino-3-methyl-N-(3-methylbutan-2-yl)-N-propan-2-ylbutanamide
CID 59033207

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S)-4-hydroxy-2,3-dimethyl-N,N-di(propan-2-yl)pentanamide?
The IUPAC name of (2R,3S,4S)-4-hydroxy-2,3-dimethyl-N,N-di(propan-2-yl)pentanamide (CID 10988048) is (2R,3S,4S)-4-hydroxy-2,3-dimethyl-N,N-di(propan-2-yl)pentanamide.
What is the SMILES notation for (2R,3S,4S)-4-hydroxy-2,3-dimethyl-N,N-di(propan-2-yl)pentanamide?
The canonical SMILES for (2R,3S,4S)-4-hydroxy-2,3-dimethyl-N,N-di(propan-2-yl)pentanamide is CC(C)N(C(=O)[C@H](C)[C@H](C)[C@H](C)O)C(C)C.
What is the InChIKey of (2R,3S,4S)-4-hydroxy-2,3-dimethyl-N,N-di(propan-2-yl)pentanamide?
The InChIKey is PKEBNJYKIJBBII-TUAOUCFPSA-N. The full InChI is InChI=1S/C13H27NO2/c1-8(2)14(9(3)4)13(16)11(6)10(5)12(7)15/h8-12,15H,1-7H3/t10-,11+,12-/m0/s1.
What are the key properties of (2R,3S,4S)-4-hydroxy-2,3-dimethyl-N,N-di(propan-2-yl)pentanamide?
(2R,3S,4S)-4-hydroxy-2,3-dimethyl-N,N-di(propan-2-yl)pentanamide has a molecular weight of 229.36 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S)-4-hydroxy-2,3-dimethyl-N,N-di(propan-2-yl)pentanamide is sourced from PubChem (CID 10988048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).