2-[(3-hydroxy-4-methoxybutyl)amino]-N-pentan-2-ylpropanamide

C13H28N2O3 — CID 114163574

IUPAC2-[(3-hydroxy-4-methoxybutyl)amino]-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)NCCC(O)COC
InChIInChI=1S/C13H28N2O3/c1-5-6-10(2)15-13(17)11(3)14-8-7-12(16)9-18-4/h10-12,14,16H,5-9H2,1-4H3,(H,15,17)
InChIKeyNIIXTXUVLSDEBN-UHFFFAOYSA-N
MW260.38 g/mol
LogP0.67
Rot. Bonds10

About 2-[(3-hydroxy-4-methoxybutyl)amino]-N-pentan-2-ylpropanamide

2-[(3-hydroxy-4-methoxybutyl)amino]-N-pentan-2-ylpropanamide (PubChem CID 114163574) has the molecular formula C13H28N2O3 and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-[(3-hydroxy-4-methoxybutyl)amino]-N-pentan-2-ylpropanamide.

Molecular Properties

Compound Name2-[(3-hydroxy-4-methoxybutyl)amino]-N-pentan-2-ylpropanamide
PubChem CID114163574
Molecular FormulaC13H28N2O3
Molecular Weight260.38 g/mol
Exact Mass260.21
IUPAC Name2-[(3-hydroxy-4-methoxybutyl)amino]-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)NCCC(O)COC
InChIInChI=1S/C13H28N2O3/c1-5-6-10(2)15-13(17)11(3)14-8-7-12(16)9-18-4/h10-12,14,16H,5-9H2,1-4H3,(H,15,17)
InChIKeyNIIXTXUVLSDEBN-UHFFFAOYSA-N
XLogP0.67
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-2-[(3-hydroxy-4-methoxybutyl)amino]propanamide
CID 114163587
N-butyl-2-[(3-hydroxy-4-methoxybutyl)amino]propanamide
CID 106246633
1-methoxy-4-(pentan-2-ylamino)butan-2-ol
CID 115897158
2-(3-butoxypropylamino)-N-pentan-2-ylpropanamide
CID 115577400
2-(4-methylpentylamino)-N-pentan-2-ylpropanamide
CID 60745937
4-[[1-oxo-1-(pentan-2-ylamino)propan-2-yl]amino]butanoic acid
CID 43473353
2-[2-(diethylamino)ethylamino]-N-pentan-2-ylpropanamide
CID 43112761
2-[2-[di(propan-2-yl)amino]ethylamino]-N-pentan-2-ylpropanamide
CID 43113241
N-(3-hydroxy-4-methoxybutyl)-2-(propylsulfonylamino)propanamide
CID 103877484
1-methoxy-4-(5-methylhexan-2-ylamino)butan-2-ol
CID 115897174
N-pentan-2-yl-2-(prop-2-enylamino)propanamide
CID 43113010
2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-pentan-2-ylpropanamide
CID 43420332

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxy-4-methoxybutyl)amino]-N-pentan-2-ylpropanamide?
The IUPAC name of 2-[(3-hydroxy-4-methoxybutyl)amino]-N-pentan-2-ylpropanamide (CID 114163574) is 2-[(3-hydroxy-4-methoxybutyl)amino]-N-pentan-2-ylpropanamide.
What is the SMILES notation for 2-[(3-hydroxy-4-methoxybutyl)amino]-N-pentan-2-ylpropanamide?
The canonical SMILES for 2-[(3-hydroxy-4-methoxybutyl)amino]-N-pentan-2-ylpropanamide is CCCC(C)NC(=O)C(C)NCCC(O)COC.
What is the InChIKey of 2-[(3-hydroxy-4-methoxybutyl)amino]-N-pentan-2-ylpropanamide?
The InChIKey is NIIXTXUVLSDEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3/c1-5-6-10(2)15-13(17)11(3)14-8-7-12(16)9-18-4/h10-12,14,16H,5-9H2,1-4H3,(H,15,17).
What are the key properties of 2-[(3-hydroxy-4-methoxybutyl)amino]-N-pentan-2-ylpropanamide?
2-[(3-hydroxy-4-methoxybutyl)amino]-N-pentan-2-ylpropanamide has a molecular weight of 260.38 g/mol, XLogP of 0.67, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxy-4-methoxybutyl)amino]-N-pentan-2-ylpropanamide is sourced from PubChem (CID 114163574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).