N-(1-hydroxybutan-2-yl)butanamide

C8H17NO2 — CID 15732300

IUPACN-(1-hydroxybutan-2-yl)butanamide
SMILESCCCC(=O)NC(CC)CO
InChIInChI=1S/C8H17NO2/c1-3-5-8(11)9-7(4-2)6-10/h7,10H,3-6H2,1-2H3,(H,9,11)
InChIKeyRFCMICHUBTUDRT-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.67
Rot. Bonds5

About N-(1-hydroxybutan-2-yl)butanamide

N-(1-hydroxybutan-2-yl)butanamide (PubChem CID 15732300) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is N-(1-hydroxybutan-2-yl)butanamide.

Molecular Properties

Compound NameN-(1-hydroxybutan-2-yl)butanamide
PubChem CID15732300
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC NameN-(1-hydroxybutan-2-yl)butanamide
SMILESCCCC(=O)NC(CC)CO
InChIInChI=1S/C8H17NO2/c1-3-5-8(11)9-7(4-2)6-10/h7,10H,3-6H2,1-2H3,(H,9,11)
InChIKeyRFCMICHUBTUDRT-UHFFFAOYSA-N
XLogP0.67
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-Hydroxyethyl)butyramide
CID 252506
Etoxybamide
CID 522232
N-glycolyl-2-amino-1-butanol
CID 5232000
N-[(2R)-1-hydroxybutan-2-yl]-2,2-dimethylpropanamide
CID 57328058
N-[2-(1-hydroxy-4-methylpentyl)]acetamide
CID 53833043
Xylariamide
CID 102222778
N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 14511499
N-[(2S)-1,3-Dihydroxybutan-2-yl]-3-methylbutanamide
CID 44421758
N,N'-bis[1-(hydroxymethyl)propyl]butanediamide
CID 469964
3-butylamino-4-hydroxy-N-butylbutyramide
CID 13512411
N-(1-hydroxy-4-methylpentan-2-yl)acetamide
CID 25759525
N-[(2S)-1-hydroxypropan-2-yl]butanamide
CID 28345692

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxybutan-2-yl)butanamide?
The IUPAC name of N-(1-hydroxybutan-2-yl)butanamide (CID 15732300) is N-(1-hydroxybutan-2-yl)butanamide.
What is the SMILES notation for N-(1-hydroxybutan-2-yl)butanamide?
The canonical SMILES for N-(1-hydroxybutan-2-yl)butanamide is CCCC(=O)NC(CC)CO.
What is the InChIKey of N-(1-hydroxybutan-2-yl)butanamide?
The InChIKey is RFCMICHUBTUDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-3-5-8(11)9-7(4-2)6-10/h7,10H,3-6H2,1-2H3,(H,9,11).
What are the key properties of N-(1-hydroxybutan-2-yl)butanamide?
N-(1-hydroxybutan-2-yl)butanamide has a molecular weight of 159.23 g/mol, XLogP of 0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxybutan-2-yl)butanamide is sourced from PubChem (CID 15732300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).