N-(1,3-dihydroxypropan-2-yl)-2-methylhexanamide

C10H21NO3 — CID 154697432

IUPACN-(1,3-dihydroxypropan-2-yl)-2-methylhexanamide
SMILESCCCCC(C)C(=O)NC(CO)CO
InChIInChI=1S/C10H21NO3/c1-3-4-5-8(2)10(14)11-9(6-12)7-13/h8-9,12-13H,3-7H2,1-2H3,(H,11,14)
InChIKeyLIJYDQIEFICPOG-UHFFFAOYSA-N
MW203.28 g/mol
LogP0.28
Rot. Bonds7

About N-(1,3-dihydroxypropan-2-yl)-2-methylhexanamide

N-(1,3-dihydroxypropan-2-yl)-2-methylhexanamide (PubChem CID 154697432) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is N-(1,3-dihydroxypropan-2-yl)-2-methylhexanamide.

Molecular Properties

Compound NameN-(1,3-dihydroxypropan-2-yl)-2-methylhexanamide
PubChem CID154697432
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC NameN-(1,3-dihydroxypropan-2-yl)-2-methylhexanamide
SMILESCCCCC(C)C(=O)NC(CO)CO
InChIInChI=1S/C10H21NO3/c1-3-4-5-8(2)10(14)11-9(6-12)7-13/h8-9,12-13H,3-7H2,1-2H3,(H,11,14)
InChIKeyLIJYDQIEFICPOG-UHFFFAOYSA-N
XLogP0.28
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-propan-2-ylhexanamide
CID 19752015
(2S)-2-amino-N-(1,3-dihydroxypropan-2-yl)hexanamide
CID 107145775
2-(2-methylundecanoylamino)propanoic acid
CID 89211024
6-amino-N-[(2R)-1-hydroxybutan-2-yl]-2-methylheptanamide
CID 107221399
5-amino-2-methyl-N-octan-4-ylpentanamide
CID 106025739
N-[(2R)-1-hydroxybutan-2-yl]-2-methylbutanamide
CID 103919845
N-(1,4-dihydroxybutan-2-yl)-2-methylbutanamide
CID 59861010
(2S)-2-acetamido-N-(1-hydroxyhexan-2-yl)-4-methylpentanamide
CID 18659589
(2S)-2-[[(2R)-2-methylhexanoyl]amino]pent-4-enoic acid
CID 87460969
(2S)-3-hydroxy-2-(2-methylpentanoylamino)propanoic acid
CID 61151739
(2S)-2-amino-N-(1-hydroxybutan-2-yl)hexanamide
CID 107143870
(2S)-2-bromo-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]hexanamide
CID 10780106

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroxypropan-2-yl)-2-methylhexanamide?
The IUPAC name of N-(1,3-dihydroxypropan-2-yl)-2-methylhexanamide (CID 154697432) is N-(1,3-dihydroxypropan-2-yl)-2-methylhexanamide.
What is the SMILES notation for N-(1,3-dihydroxypropan-2-yl)-2-methylhexanamide?
The canonical SMILES for N-(1,3-dihydroxypropan-2-yl)-2-methylhexanamide is CCCCC(C)C(=O)NC(CO)CO.
What is the InChIKey of N-(1,3-dihydroxypropan-2-yl)-2-methylhexanamide?
The InChIKey is LIJYDQIEFICPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-3-4-5-8(2)10(14)11-9(6-12)7-13/h8-9,12-13H,3-7H2,1-2H3,(H,11,14).
What are the key properties of N-(1,3-dihydroxypropan-2-yl)-2-methylhexanamide?
N-(1,3-dihydroxypropan-2-yl)-2-methylhexanamide has a molecular weight of 203.28 g/mol, XLogP of 0.28, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydroxypropan-2-yl)-2-methylhexanamide is sourced from PubChem (CID 154697432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).