2-[(2-hydroxy-4,4-dimethylpentyl)amino]-N-(2-methylbutan-2-yl)propanamide

C15H32N2O2 — CID 107152268

IUPAC2-[(2-hydroxy-4,4-dimethylpentyl)amino]-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)NCC(O)CC(C)(C)C
InChIInChI=1S/C15H32N2O2/c1-8-15(6,7)17-13(19)11(2)16-10-12(18)9-14(3,4)5/h11-12,16,18H,8-10H2,1-7H3,(H,17,19)
InChIKeyWQWNCEQSZMTXNF-UHFFFAOYSA-N
MW272.43 g/mol
LogP2.07
Rot. Bonds7

About 2-[(2-hydroxy-4,4-dimethylpentyl)amino]-N-(2-methylbutan-2-yl)propanamide

2-[(2-hydroxy-4,4-dimethylpentyl)amino]-N-(2-methylbutan-2-yl)propanamide (PubChem CID 107152268) has the molecular formula C15H32N2O2 and a molecular weight of 272.43 g/mol. Its IUPAC name is 2-[(2-hydroxy-4,4-dimethylpentyl)amino]-N-(2-methylbutan-2-yl)propanamide.

Molecular Properties

Compound Name2-[(2-hydroxy-4,4-dimethylpentyl)amino]-N-(2-methylbutan-2-yl)propanamide
PubChem CID107152268
Molecular FormulaC15H32N2O2
Molecular Weight272.43 g/mol
Exact Mass272.25
IUPAC Name2-[(2-hydroxy-4,4-dimethylpentyl)amino]-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)NCC(O)CC(C)(C)C
InChIInChI=1S/C15H32N2O2/c1-8-15(6,7)17-13(19)11(2)16-10-12(18)9-14(3,4)5/h11-12,16,18H,8-10H2,1-7H3,(H,17,19)
InChIKeyWQWNCEQSZMTXNF-UHFFFAOYSA-N
XLogP2.07
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N1-cyclopropyl-N2-(3-hydroxy-4,4-dimethylpentyl)oxalamide
CID 71787623
N-[2-[(2-hydroxy-3,3-dimethylbutyl)amino]-2-oxoethyl]-4-methylpentanamide
CID 71848427
2-[(2-hydroxy-4,4-dimethylpentyl)amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 107152260
2-amino-3,3,3-trifluoro-N-(2-hydroxy-4,4-dimethylpentyl)-2-methylpropanamide
CID 107152833
2-[(2-hydroxy-4,4-dimethylpentyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 113923756
2-[(2-hydroxy-4-methylpentyl)amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 113923840
N-[(2S)-1-amino-1-oxopropan-2-yl]-2-hydroxy-4-methylpentanamide
CID 53898022
(2S)-2-[(2-hydroxy-4-methylpentanoyl)amino]-4-methylpentanamide
CID 54445811
(2R)-N-[(3R)-3-hydroxybutan-2-yl]-4-methyl-2-(methylamino)pentanamide
CID 60127999
(2S)-N-[(2S)-1-amino-1-oxopropan-2-yl]-2-hydroxy-4-methylpentanamide
CID 73969181
(2S)-2-[[(2S)-2-hydroxy-4-methylpentanoyl]amino]-4-methylpentanamide
CID 73969196
(2S)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-2-(methylamino)propanamide
CID 89234461

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-4,4-dimethylpentyl)amino]-N-(2-methylbutan-2-yl)propanamide?
The IUPAC name of 2-[(2-hydroxy-4,4-dimethylpentyl)amino]-N-(2-methylbutan-2-yl)propanamide (CID 107152268) is 2-[(2-hydroxy-4,4-dimethylpentyl)amino]-N-(2-methylbutan-2-yl)propanamide.
What is the SMILES notation for 2-[(2-hydroxy-4,4-dimethylpentyl)amino]-N-(2-methylbutan-2-yl)propanamide?
The canonical SMILES for 2-[(2-hydroxy-4,4-dimethylpentyl)amino]-N-(2-methylbutan-2-yl)propanamide is CCC(C)(C)NC(=O)C(C)NCC(O)CC(C)(C)C.
What is the InChIKey of 2-[(2-hydroxy-4,4-dimethylpentyl)amino]-N-(2-methylbutan-2-yl)propanamide?
The InChIKey is WQWNCEQSZMTXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2/c1-8-15(6,7)17-13(19)11(2)16-10-12(18)9-14(3,4)5/h11-12,16,18H,8-10H2,1-7H3,(H,17,19).
What are the key properties of 2-[(2-hydroxy-4,4-dimethylpentyl)amino]-N-(2-methylbutan-2-yl)propanamide?
2-[(2-hydroxy-4,4-dimethylpentyl)amino]-N-(2-methylbutan-2-yl)propanamide has a molecular weight of 272.43 g/mol, XLogP of 2.07, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-4,4-dimethylpentyl)amino]-N-(2-methylbutan-2-yl)propanamide is sourced from PubChem (CID 107152268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).