2-[(4-hydroxy-2,2-dimethylbutyl)amino]-N-propylpropanamide

C12H26N2O2 — CID 106146607

IUPAC2-[(4-hydroxy-2,2-dimethylbutyl)amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NCC(C)(C)CCO
InChIInChI=1S/C12H26N2O2/c1-5-7-13-11(16)10(2)14-9-12(3,4)6-8-15/h10,14-15H,5-9H2,1-4H3,(H,13,16)
InChIKeyDTWBWFCMLHXUMR-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.90
Rot. Bonds8

About 2-[(4-hydroxy-2,2-dimethylbutyl)amino]-N-propylpropanamide

2-[(4-hydroxy-2,2-dimethylbutyl)amino]-N-propylpropanamide (PubChem CID 106146607) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-[(4-hydroxy-2,2-dimethylbutyl)amino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[(4-hydroxy-2,2-dimethylbutyl)amino]-N-propylpropanamide
PubChem CID106146607
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name2-[(4-hydroxy-2,2-dimethylbutyl)amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NCC(C)(C)CCO
InChIInChI=1S/C12H26N2O2/c1-5-7-13-11(16)10(2)14-9-12(3,4)6-8-15/h10,14-15H,5-9H2,1-4H3,(H,13,16)
InChIKeyDTWBWFCMLHXUMR-UHFFFAOYSA-N
XLogP0.90
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 ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-hydroxy-2,2-dimethylpentyl)amino]-N-(3-methylbutyl)propanamide
CID 106147175
N-(furan-2-ylmethyl)-2-[(4-hydroxy-2,2-dimethylbutyl)amino]propanamide
CID 106146484
2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-propylpropanamide
CID 43393041
2-methyl-N-[1-oxo-1-(propylamino)propan-2-yl]propanamide
CID 60659584
2-[(4-hydroxy-2,2-dimethylbutyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 114149934
2-[(4-hydroxy-2,2-dimethylbutyl)amino]-3-methylbutanoic acid
CID 106149098
N-butan-2-yl-2-[(4-methoxy-2,2-dimethylbutyl)amino]propanamide
CID 104624297
tert-butyl N-[2-[[1-oxo-1-(propylamino)propan-2-yl]amino]ethyl]carbamate
CID 112688734
2-(3-hydroxybutylamino)-N-propylpropanamide
CID 64913708
2-amino-N-(4-hydroxy-2,2-dimethylbutyl)-3-methylbutanamide
CID 106147902
2-[[2-(azepan-1-yl)-2-oxoethyl]amino]-N-propylpropanamide
CID 60695646
2-[(2-hydroxy-2-methylbutyl)amino]-N-pentylpropanamide
CID 65111805

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxy-2,2-dimethylbutyl)amino]-N-propylpropanamide?
The IUPAC name of 2-[(4-hydroxy-2,2-dimethylbutyl)amino]-N-propylpropanamide (CID 106146607) is 2-[(4-hydroxy-2,2-dimethylbutyl)amino]-N-propylpropanamide.
What is the SMILES notation for 2-[(4-hydroxy-2,2-dimethylbutyl)amino]-N-propylpropanamide?
The canonical SMILES for 2-[(4-hydroxy-2,2-dimethylbutyl)amino]-N-propylpropanamide is CCCNC(=O)C(C)NCC(C)(C)CCO.
What is the InChIKey of 2-[(4-hydroxy-2,2-dimethylbutyl)amino]-N-propylpropanamide?
The InChIKey is DTWBWFCMLHXUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-5-7-13-11(16)10(2)14-9-12(3,4)6-8-15/h10,14-15H,5-9H2,1-4H3,(H,13,16).
What are the key properties of 2-[(4-hydroxy-2,2-dimethylbutyl)amino]-N-propylpropanamide?
2-[(4-hydroxy-2,2-dimethylbutyl)amino]-N-propylpropanamide has a molecular weight of 230.35 g/mol, XLogP of 0.90, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxy-2,2-dimethylbutyl)amino]-N-propylpropanamide is sourced from PubChem (CID 106146607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).