N-(1-hydroxypentan-3-yl)pent-4-ynamide

C10H17NO2 — CID 107262073

IUPACN-(1-hydroxypentan-3-yl)pent-4-ynamide
SMILESC#CCCC(=O)NC(CC)CCO
InChIInChI=1S/C10H17NO2/c1-3-5-6-10(13)11-9(4-2)7-8-12/h1,9,12H,4-8H2,2H3,(H,11,13)
InChIKeyYCILKRPBQQBBCR-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.68
Rot. Bonds6

About N-(1-hydroxypentan-3-yl)pent-4-ynamide

N-(1-hydroxypentan-3-yl)pent-4-ynamide (PubChem CID 107262073) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is N-(1-hydroxypentan-3-yl)pent-4-ynamide.

Molecular Properties

Compound NameN-(1-hydroxypentan-3-yl)pent-4-ynamide
PubChem CID107262073
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC NameN-(1-hydroxypentan-3-yl)pent-4-ynamide
SMILESC#CCCC(=O)NC(CC)CCO
InChIInChI=1S/C10H17NO2/c1-3-5-6-10(13)11-9(4-2)7-8-12/h1,9,12H,4-8H2,2H3,(H,11,13)
InChIKeyYCILKRPBQQBBCR-UHFFFAOYSA-N
XLogP0.68
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-hydroxypentan-3-yl)-4,4-dimethylpentanamide
CID 109479134
3-hydroxy-N-pentan-3-ylpropanamide
CID 57208434
N-(1-hydroxypentan-3-yl)-4-pyrrol-1-ylbutanamide
CID 109479015
N-[2-(1-hydroxypentan-3-ylamino)-2-oxoethyl]butanamide
CID 109479267
N-[2-(2-hydroxyethyl)pentyl]pent-4-ynamide
CID 106115864
N-(1-hydroxypentan-3-yl)but-2-ynamide
CID 107262074
2-(cyanomethylsulfanyl)-N-(1-hydroxypentan-3-yl)acetamide
CID 115767153
4-hydroxy-N-(1-hydroxybutan-2-yl)butanamide
CID 79201131
2,2-difluoro-N-(1-hydroxypentan-3-yl)acetamide
CID 103513993
N-(1-hydroxypentan-3-yl)-3-(1,2,4-triazol-1-yl)propanamide
CID 115735088
N-hex-1-yn-3-ylhept-6-ynamide
CID 103528473
4-(hexan-3-ylamino)-4-oxobutanoic acid
CID 62118536

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypentan-3-yl)pent-4-ynamide?
The IUPAC name of N-(1-hydroxypentan-3-yl)pent-4-ynamide (CID 107262073) is N-(1-hydroxypentan-3-yl)pent-4-ynamide.
What is the SMILES notation for N-(1-hydroxypentan-3-yl)pent-4-ynamide?
The canonical SMILES for N-(1-hydroxypentan-3-yl)pent-4-ynamide is C#CCCC(=O)NC(CC)CCO.
What is the InChIKey of N-(1-hydroxypentan-3-yl)pent-4-ynamide?
The InChIKey is YCILKRPBQQBBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-3-5-6-10(13)11-9(4-2)7-8-12/h1,9,12H,4-8H2,2H3,(H,11,13).
What are the key properties of N-(1-hydroxypentan-3-yl)pent-4-ynamide?
N-(1-hydroxypentan-3-yl)pent-4-ynamide has a molecular weight of 183.25 g/mol, XLogP of 0.68, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypentan-3-yl)pent-4-ynamide is sourced from PubChem (CID 107262073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).