2-[(5-hydroxy-2,2-dimethylpentyl)amino]-N-(3-methylbutyl)propanamide

C15H32N2O2 — CID 106147175

IUPAC2-[(5-hydroxy-2,2-dimethylpentyl)amino]-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)C(C)NCC(C)(C)CCCO
InChIInChI=1S/C15H32N2O2/c1-12(2)7-9-16-14(19)13(3)17-11-15(4,5)8-6-10-18/h12-13,17-18H,6-11H2,1-5H3,(H,16,19)
InChIKeyXYQIQHCTSFEZIB-UHFFFAOYSA-N
MW272.43 g/mol
LogP1.93
Rot. Bonds10

About 2-[(5-hydroxy-2,2-dimethylpentyl)amino]-N-(3-methylbutyl)propanamide

2-[(5-hydroxy-2,2-dimethylpentyl)amino]-N-(3-methylbutyl)propanamide (PubChem CID 106147175) has the molecular formula C15H32N2O2 and a molecular weight of 272.43 g/mol. Its IUPAC name is 2-[(5-hydroxy-2,2-dimethylpentyl)amino]-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name2-[(5-hydroxy-2,2-dimethylpentyl)amino]-N-(3-methylbutyl)propanamide
PubChem CID106147175
Molecular FormulaC15H32N2O2
Molecular Weight272.43 g/mol
Exact Mass272.25
IUPAC Name2-[(5-hydroxy-2,2-dimethylpentyl)amino]-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)C(C)NCC(C)(C)CCCO
InChIInChI=1S/C15H32N2O2/c1-12(2)7-9-16-14(19)13(3)17-11-15(4,5)8-6-10-18/h12-13,17-18H,6-11H2,1-5H3,(H,16,19)
InChIKeyXYQIQHCTSFEZIB-UHFFFAOYSA-N
XLogP1.93
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-hydroxy-2,2-dimethylbutyl)amino]-N-propylpropanamide
CID 106146607
4,4-dimethyl-5-(3-methylbutylamino)pentan-1-ol
CID 103578749
1-(4-hydroxy-2,2-dimethylbutyl)-3-(3-methylbutyl)urea
CID 111503761
2-[(5-hydroxy-2,2-dimethylpentyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 106147291
2-(butylamino)-N-(3-methylbutyl)propanamide
CID 43112967
N-(5-hydroxy-2,2-dimethylpentyl)-2-methoxypropanamide
CID 103899872
2-[(4-hydroxy-2,2-dimethylbutyl)amino]-N-(3-methylbutyl)acetamide
CID 106146856
N-(5-hydroxy-2,2-dimethylpentyl)-3-methyl-2-sulfanylbutanamide
CID 106149644
2-[[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 43466192
methyl 3-[(5-hydroxy-2,2-dimethylpentyl)amino]-2-methylbutanoate
CID 106147126
2-(2-acetamidoethylamino)-N-(3-methylbutyl)propanamide
CID 43420237
N-(3-methylbutyl)-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]propanamide
CID 78963907

Frequently Asked Questions

What is the IUPAC name of 2-[(5-hydroxy-2,2-dimethylpentyl)amino]-N-(3-methylbutyl)propanamide?
The IUPAC name of 2-[(5-hydroxy-2,2-dimethylpentyl)amino]-N-(3-methylbutyl)propanamide (CID 106147175) is 2-[(5-hydroxy-2,2-dimethylpentyl)amino]-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 2-[(5-hydroxy-2,2-dimethylpentyl)amino]-N-(3-methylbutyl)propanamide?
The canonical SMILES for 2-[(5-hydroxy-2,2-dimethylpentyl)amino]-N-(3-methylbutyl)propanamide is CC(C)CCNC(=O)C(C)NCC(C)(C)CCCO.
What is the InChIKey of 2-[(5-hydroxy-2,2-dimethylpentyl)amino]-N-(3-methylbutyl)propanamide?
The InChIKey is XYQIQHCTSFEZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2/c1-12(2)7-9-16-14(19)13(3)17-11-15(4,5)8-6-10-18/h12-13,17-18H,6-11H2,1-5H3,(H,16,19).
What are the key properties of 2-[(5-hydroxy-2,2-dimethylpentyl)amino]-N-(3-methylbutyl)propanamide?
2-[(5-hydroxy-2,2-dimethylpentyl)amino]-N-(3-methylbutyl)propanamide has a molecular weight of 272.43 g/mol, XLogP of 1.93, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-hydroxy-2,2-dimethylpentyl)amino]-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 106147175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).