N-[2-(1-hydroxypentan-3-ylamino)-2-oxoethyl]butanamide

C11H22N2O3 — CID 109479267

IUPACN-[2-(1-hydroxypentan-3-ylamino)-2-oxoethyl]butanamide
SMILESCCCC(=O)NCC(=O)NC(CC)CCO
InChIInChI=1S/C11H22N2O3/c1-3-5-10(15)12-8-11(16)13-9(4-2)6-7-14/h9,14H,3-8H2,1-2H3,(H,12,15)(H,13,16)
InChIKeyITQACNMMOUABLU-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.18
Rot. Bonds8

About N-[2-(1-hydroxypentan-3-ylamino)-2-oxoethyl]butanamide

N-[2-(1-hydroxypentan-3-ylamino)-2-oxoethyl]butanamide (PubChem CID 109479267) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is N-[2-(1-hydroxypentan-3-ylamino)-2-oxoethyl]butanamide.

Molecular Properties

Compound NameN-[2-(1-hydroxypentan-3-ylamino)-2-oxoethyl]butanamide
PubChem CID109479267
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC NameN-[2-(1-hydroxypentan-3-ylamino)-2-oxoethyl]butanamide
SMILESCCCC(=O)NCC(=O)NC(CC)CCO
InChIInChI=1S/C11H22N2O3/c1-3-5-10(15)12-8-11(16)13-9(4-2)6-7-14/h9,14H,3-8H2,1-2H3,(H,12,15)(H,13,16)
InChIKeyITQACNMMOUABLU-UHFFFAOYSA-N
XLogP0.18
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-(hexan-3-ylamino)-2-oxoethyl]acetamide
CID 62117084
N-(1-hydroxypentan-3-yl)-4,4-dimethylpentanamide
CID 109479134
N-(1-hydroxypentan-3-yl)pent-4-ynamide
CID 107262073
N-(1-hydroxypentan-3-yl)-4-pyrrol-1-ylbutanamide
CID 109479015
3-hydroxy-N-pentan-3-ylpropanamide
CID 57208434
N-[(3R)-1-hydroxypentan-3-yl]-2-(4-iodophenyl)acetamide
CID 99832158
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
2-(3,4-difluorophenyl)-N-(1-hydroxypentan-3-yl)acetamide
CID 109479337
N-[2-oxo-2-(1-phenylethylamino)ethyl]butanamide
CID 47205693
4-(hexan-3-ylamino)-4-oxobutanoic acid
CID 62118536
2-(methylamino)-N-pentadecan-3-ylacetamide
CID 156639958

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-hydroxypentan-3-ylamino)-2-oxoethyl]butanamide?
The IUPAC name of N-[2-(1-hydroxypentan-3-ylamino)-2-oxoethyl]butanamide (CID 109479267) is N-[2-(1-hydroxypentan-3-ylamino)-2-oxoethyl]butanamide.
What is the SMILES notation for N-[2-(1-hydroxypentan-3-ylamino)-2-oxoethyl]butanamide?
The canonical SMILES for N-[2-(1-hydroxypentan-3-ylamino)-2-oxoethyl]butanamide is CCCC(=O)NCC(=O)NC(CC)CCO.
What is the InChIKey of N-[2-(1-hydroxypentan-3-ylamino)-2-oxoethyl]butanamide?
The InChIKey is ITQACNMMOUABLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-3-5-10(15)12-8-11(16)13-9(4-2)6-7-14/h9,14H,3-8H2,1-2H3,(H,12,15)(H,13,16).
What are the key properties of N-[2-(1-hydroxypentan-3-ylamino)-2-oxoethyl]butanamide?
N-[2-(1-hydroxypentan-3-ylamino)-2-oxoethyl]butanamide has a molecular weight of 230.31 g/mol, XLogP of 0.18, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-hydroxypentan-3-ylamino)-2-oxoethyl]butanamide is sourced from PubChem (CID 109479267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).