N-(1,4-dihydroxybutan-2-yl)-2-methylbutanamide

C9H19NO3 — CID 59861010

IUPACN-(1,4-dihydroxybutan-2-yl)-2-methylbutanamide
SMILESCCC(C)C(=O)NC(CO)CCO
InChIInChI=1S/C9H19NO3/c1-3-7(2)9(13)10-8(6-12)4-5-11/h7-8,11-12H,3-6H2,1-2H3,(H,10,13)
InChIKeyFDSRJQXCGOYGHU-UHFFFAOYSA-N
MW189.25 g/mol
LogP-0.11
Rot. Bonds6

About N-(1,4-dihydroxybutan-2-yl)-2-methylbutanamide

N-(1,4-dihydroxybutan-2-yl)-2-methylbutanamide (PubChem CID 59861010) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is N-(1,4-dihydroxybutan-2-yl)-2-methylbutanamide.

Molecular Properties

Compound NameN-(1,4-dihydroxybutan-2-yl)-2-methylbutanamide
PubChem CID59861010
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC NameN-(1,4-dihydroxybutan-2-yl)-2-methylbutanamide
SMILESCCC(C)C(=O)NC(CO)CCO
InChIInChI=1S/C9H19NO3/c1-3-7(2)9(13)10-8(6-12)4-5-11/h7-8,11-12H,3-6H2,1-2H3,(H,10,13)
InChIKeyFDSRJQXCGOYGHU-UHFFFAOYSA-N
XLogP-0.11
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-1-hydroxybutan-2-yl]-2-methylbutanamide
CID 103919845
6-amino-N-[(2R)-1-hydroxybutan-2-yl]-2-methylheptanamide
CID 107221399
3-amino-N-(1-hydroxybutan-2-yl)-2-methylpropanamide
CID 62668866
N-(1,3-dihydroxypropan-2-yl)-2-methylhexanamide
CID 154697432
2-(2-methylbutanoylamino)propanoic acid
CID 14758658
2,2-difluoro-N-(1-hydroxypentan-3-yl)acetamide
CID 103513993
2-cyano-N-(1-hydroxypentan-3-yl)propanamide
CID 115767204
N-(4-hydroxybutan-2-yl)-2-methylpentanamide
CID 81042782
4-hydroxy-2-(2-methylpentanoylamino)butanoic acid
CID 61243280
N-[(2R)-butan-2-yl]-2-methylbutanamide
CID 88542995
2-(carbamoylamino)-N-(1-hydroxypentan-3-yl)-3-methylbutanamide
CID 113341041
2-amino-N-(1,3-dihydroxypropan-2-yl)butanamide
CID 65314270

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dihydroxybutan-2-yl)-2-methylbutanamide?
The IUPAC name of N-(1,4-dihydroxybutan-2-yl)-2-methylbutanamide (CID 59861010) is N-(1,4-dihydroxybutan-2-yl)-2-methylbutanamide.
What is the SMILES notation for N-(1,4-dihydroxybutan-2-yl)-2-methylbutanamide?
The canonical SMILES for N-(1,4-dihydroxybutan-2-yl)-2-methylbutanamide is CCC(C)C(=O)NC(CO)CCO.
What is the InChIKey of N-(1,4-dihydroxybutan-2-yl)-2-methylbutanamide?
The InChIKey is FDSRJQXCGOYGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-3-7(2)9(13)10-8(6-12)4-5-11/h7-8,11-12H,3-6H2,1-2H3,(H,10,13).
What are the key properties of N-(1,4-dihydroxybutan-2-yl)-2-methylbutanamide?
N-(1,4-dihydroxybutan-2-yl)-2-methylbutanamide has a molecular weight of 189.25 g/mol, XLogP of -0.11, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dihydroxybutan-2-yl)-2-methylbutanamide is sourced from PubChem (CID 59861010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).