N-[4-(1-hydroxybutan-2-ylamino)-4-oxobutyl]-2,2-dimethylpropanamide

C13H26N2O3 — CID 43417934

IUPACN-[4-(1-hydroxybutan-2-ylamino)-4-oxobutyl]-2,2-dimethylpropanamide
SMILESCCC(CO)NC(=O)CCCNC(=O)C(C)(C)C
InChIInChI=1S/C13H26N2O3/c1-5-10(9-16)15-11(17)7-6-8-14-12(18)13(2,3)4/h10,16H,5-9H2,1-4H3,(H,14,18)(H,15,17)
InChIKeySDIAJFSMFMMLIO-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.82
Rot. Bonds7

About N-[4-(1-hydroxybutan-2-ylamino)-4-oxobutyl]-2,2-dimethylpropanamide

N-[4-(1-hydroxybutan-2-ylamino)-4-oxobutyl]-2,2-dimethylpropanamide (PubChem CID 43417934) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is N-[4-(1-hydroxybutan-2-ylamino)-4-oxobutyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-(1-hydroxybutan-2-ylamino)-4-oxobutyl]-2,2-dimethylpropanamide
PubChem CID43417934
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC NameN-[4-(1-hydroxybutan-2-ylamino)-4-oxobutyl]-2,2-dimethylpropanamide
SMILESCCC(CO)NC(=O)CCCNC(=O)C(C)(C)C
InChIInChI=1S/C13H26N2O3/c1-5-10(9-16)15-11(17)7-6-8-14-12(18)13(2,3)4/h10,16H,5-9H2,1-4H3,(H,14,18)(H,15,17)
InChIKeySDIAJFSMFMMLIO-UHFFFAOYSA-N
XLogP0.82
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-N-(1-hydroxybutan-2-yl)butanamide
CID 79201131
N-(1-hydroxybutan-2-yl)pentanamide
CID 43417907
N-[(2S)-1-hydroxybutan-2-yl]hexanamide
CID 104981701
N-[4-[(1-hydroxy-4-methylpentan-3-yl)amino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 103750764
(2S)-2-[4-(2,2-dimethylpropanoylamino)butanoylamino]hexanoic acid
CID 107144381
(2S,3R)-2-[4-(2,2-dimethylpropanoylamino)butanoylamino]-3-hydroxybutanoic acid
CID 104964489
N-[(2S)-1-hydroxybutan-2-yl]-4-methoxybutanamide
CID 104981240
methyl 2-[4-(2,2-dimethylpropanoylamino)butanoylamino]-3-methylbutanoate
CID 43422536
1-butyl-3-(1-hydroxybutan-2-yl)urea
CID 43393019
4-ethoxy-N-(1-hydroxybutan-2-yl)butanamide
CID 112728067
N-[3-[[(1S)-1-cyanopropyl]amino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 95637464
2-chloro-N-[(2R)-1-hydroxybutan-2-yl]acetamide
CID 12032305

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-hydroxybutan-2-ylamino)-4-oxobutyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-(1-hydroxybutan-2-ylamino)-4-oxobutyl]-2,2-dimethylpropanamide (CID 43417934) is N-[4-(1-hydroxybutan-2-ylamino)-4-oxobutyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-(1-hydroxybutan-2-ylamino)-4-oxobutyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-(1-hydroxybutan-2-ylamino)-4-oxobutyl]-2,2-dimethylpropanamide is CCC(CO)NC(=O)CCCNC(=O)C(C)(C)C.
What is the InChIKey of N-[4-(1-hydroxybutan-2-ylamino)-4-oxobutyl]-2,2-dimethylpropanamide?
The InChIKey is SDIAJFSMFMMLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-5-10(9-16)15-11(17)7-6-8-14-12(18)13(2,3)4/h10,16H,5-9H2,1-4H3,(H,14,18)(H,15,17).
What are the key properties of N-[4-(1-hydroxybutan-2-ylamino)-4-oxobutyl]-2,2-dimethylpropanamide?
N-[4-(1-hydroxybutan-2-ylamino)-4-oxobutyl]-2,2-dimethylpropanamide has a molecular weight of 258.36 g/mol, XLogP of 0.82, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-hydroxybutan-2-ylamino)-4-oxobutyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 43417934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).