2-(1-hydroxybutan-2-ylamino)-N-pentan-2-ylpropanamide

C12H26N2O2 — CID 43416457

IUPAC2-(1-hydroxybutan-2-ylamino)-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)NC(CC)CO
InChIInChI=1S/C12H26N2O2/c1-5-7-9(3)13-12(16)10(4)14-11(6-2)8-15/h9-11,14-15H,5-8H2,1-4H3,(H,13,16)
InChIKeyXOHVIQSBGJXWNQ-UHFFFAOYSA-N
MW230.35 g/mol
LogP1.04
Rot. Bonds8

About 2-(1-hydroxybutan-2-ylamino)-N-pentan-2-ylpropanamide

2-(1-hydroxybutan-2-ylamino)-N-pentan-2-ylpropanamide (PubChem CID 43416457) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-(1-hydroxybutan-2-ylamino)-N-pentan-2-ylpropanamide.

Molecular Properties

Compound Name2-(1-hydroxybutan-2-ylamino)-N-pentan-2-ylpropanamide
PubChem CID43416457
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name2-(1-hydroxybutan-2-ylamino)-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)NC(CC)CO
InChIInChI=1S/C12H26N2O2/c1-5-7-9(3)13-12(16)10(4)14-11(6-2)8-15/h9-11,14-15H,5-8H2,1-4H3,(H,13,16)
InChIKeyXOHVIQSBGJXWNQ-UHFFFAOYSA-N
XLogP1.04
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-oxo-1-(pentan-2-ylamino)propan-2-yl]amino]propanoic acid
CID 43467311
2-(hexan-2-ylamino)-N-pentan-2-ylpropanamide
CID 62201162
N-butan-2-yl-2-(1-methylsulfanylbutan-2-ylamino)propanamide
CID 115899230
2-(1-cyclopropylethylamino)-N-pentan-2-ylpropanamide
CID 43420322
2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-N-pentan-2-ylpropanamide
CID 103108377
N-butan-2-yl-2-propylpentanamide
CID 115532227
2-iodo-N-pentan-2-ylbutanamide
CID 149238445
(2S)-2-(1-hydroxypropan-2-ylamino)butan-1-ol
CID 55300150
(2S)-2-amino-N-[(2S)-1-hydroxybutan-2-yl]pentanamide
CID 107571000
2-amino-N-[(2S)-1-hydroxybutan-2-yl]pentanamide
CID 107222375
2-(3-methylpentan-3-ylamino)-N-pentan-2-ylpropanamide
CID 106328554
N-pentan-2-yl-2-[[(1R)-1-phenylethyl]amino]propanamide
CID 78948251

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxybutan-2-ylamino)-N-pentan-2-ylpropanamide?
The IUPAC name of 2-(1-hydroxybutan-2-ylamino)-N-pentan-2-ylpropanamide (CID 43416457) is 2-(1-hydroxybutan-2-ylamino)-N-pentan-2-ylpropanamide.
What is the SMILES notation for 2-(1-hydroxybutan-2-ylamino)-N-pentan-2-ylpropanamide?
The canonical SMILES for 2-(1-hydroxybutan-2-ylamino)-N-pentan-2-ylpropanamide is CCCC(C)NC(=O)C(C)NC(CC)CO.
What is the InChIKey of 2-(1-hydroxybutan-2-ylamino)-N-pentan-2-ylpropanamide?
The InChIKey is XOHVIQSBGJXWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-5-7-9(3)13-12(16)10(4)14-11(6-2)8-15/h9-11,14-15H,5-8H2,1-4H3,(H,13,16).
What are the key properties of 2-(1-hydroxybutan-2-ylamino)-N-pentan-2-ylpropanamide?
2-(1-hydroxybutan-2-ylamino)-N-pentan-2-ylpropanamide has a molecular weight of 230.35 g/mol, XLogP of 1.04, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxybutan-2-ylamino)-N-pentan-2-ylpropanamide is sourced from PubChem (CID 43416457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).