N-[4-[(1-hydroxy-4-methylpentan-3-yl)amino]-4-oxobutyl]-2,2-dimethylpropanamide

C15H30N2O3 — CID 103750764

IUPACN-[4-[(1-hydroxy-4-methylpentan-3-yl)amino]-4-oxobutyl]-2,2-dimethylpropanamide
SMILESCC(C)C(CCO)NC(=O)CCCNC(=O)C(C)(C)C
InChIInChI=1S/C15H30N2O3/c1-11(2)12(8-10-18)17-13(19)7-6-9-16-14(20)15(3,4)5/h11-12,18H,6-10H2,1-5H3,(H,16,20)(H,17,19)
InChIKeyBQBKLXUIDRDMFR-UHFFFAOYSA-N
MW286.42 g/mol
LogP1.45
Rot. Bonds8

About N-[4-[(1-hydroxy-4-methylpentan-3-yl)amino]-4-oxobutyl]-2,2-dimethylpropanamide

N-[4-[(1-hydroxy-4-methylpentan-3-yl)amino]-4-oxobutyl]-2,2-dimethylpropanamide (PubChem CID 103750764) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is N-[4-[(1-hydroxy-4-methylpentan-3-yl)amino]-4-oxobutyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-[(1-hydroxy-4-methylpentan-3-yl)amino]-4-oxobutyl]-2,2-dimethylpropanamide
PubChem CID103750764
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC NameN-[4-[(1-hydroxy-4-methylpentan-3-yl)amino]-4-oxobutyl]-2,2-dimethylpropanamide
SMILESCC(C)C(CCO)NC(=O)CCCNC(=O)C(C)(C)C
InChIInChI=1S/C15H30N2O3/c1-11(2)12(8-10-18)17-13(19)7-6-9-16-14(20)15(3,4)5/h11-12,18H,6-10H2,1-5H3,(H,16,20)(H,17,19)
InChIKeyBQBKLXUIDRDMFR-UHFFFAOYSA-N
XLogP1.45
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 51.45
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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Frequently Asked Questions

What is the IUPAC name of N-[4-[(1-hydroxy-4-methylpentan-3-yl)amino]-4-oxobutyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-[(1-hydroxy-4-methylpentan-3-yl)amino]-4-oxobutyl]-2,2-dimethylpropanamide (CID 103750764) is N-[4-[(1-hydroxy-4-methylpentan-3-yl)amino]-4-oxobutyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-[(1-hydroxy-4-methylpentan-3-yl)amino]-4-oxobutyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-[(1-hydroxy-4-methylpentan-3-yl)amino]-4-oxobutyl]-2,2-dimethylpropanamide is CC(C)C(CCO)NC(=O)CCCNC(=O)C(C)(C)C.
What is the InChIKey of N-[4-[(1-hydroxy-4-methylpentan-3-yl)amino]-4-oxobutyl]-2,2-dimethylpropanamide?
The InChIKey is BQBKLXUIDRDMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-11(2)12(8-10-18)17-13(19)7-6-9-16-14(20)15(3,4)5/h11-12,18H,6-10H2,1-5H3,(H,16,20)(H,17,19).
What are the key properties of N-[4-[(1-hydroxy-4-methylpentan-3-yl)amino]-4-oxobutyl]-2,2-dimethylpropanamide?
N-[4-[(1-hydroxy-4-methylpentan-3-yl)amino]-4-oxobutyl]-2,2-dimethylpropanamide has a molecular weight of 286.42 g/mol, XLogP of 1.45, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1-hydroxy-4-methylpentan-3-yl)amino]-4-oxobutyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 103750764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).