N-[4-[ethyl-(2-hydroxy-2-methylpropyl)amino]-4-oxobutyl]-2,2-dimethylpropanamide

C15H30N2O3 — CID 79387815

IUPACN-[4-[ethyl-(2-hydroxy-2-methylpropyl)amino]-4-oxobutyl]-2,2-dimethylpropanamide
SMILESCCN(CC(C)(C)O)C(=O)CCCNC(=O)C(C)(C)C
InChIInChI=1S/C15H30N2O3/c1-7-17(11-15(5,6)20)12(18)9-8-10-16-13(19)14(2,3)4/h20H,7-11H2,1-6H3,(H,16,19)
InChIKeyKDIPFADBVQHVNG-UHFFFAOYSA-N
MW286.42 g/mol
LogP1.55
Rot. Bonds7

About N-[4-[ethyl-(2-hydroxy-2-methylpropyl)amino]-4-oxobutyl]-2,2-dimethylpropanamide

N-[4-[ethyl-(2-hydroxy-2-methylpropyl)amino]-4-oxobutyl]-2,2-dimethylpropanamide (PubChem CID 79387815) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is N-[4-[ethyl-(2-hydroxy-2-methylpropyl)amino]-4-oxobutyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-[ethyl-(2-hydroxy-2-methylpropyl)amino]-4-oxobutyl]-2,2-dimethylpropanamide
PubChem CID79387815
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC NameN-[4-[ethyl-(2-hydroxy-2-methylpropyl)amino]-4-oxobutyl]-2,2-dimethylpropanamide
SMILESCCN(CC(C)(C)O)C(=O)CCCNC(=O)C(C)(C)C
InChIInChI=1S/C15H30N2O3/c1-7-17(11-15(5,6)20)12(18)9-8-10-16-13(19)14(2,3)4/h20H,7-11H2,1-6H3,(H,16,19)
InChIKeyKDIPFADBVQHVNG-UHFFFAOYSA-N
XLogP1.55
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-[bis(2-hydroxyethyl)amino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 61234331
N-[4-(dimethylamino)-4-oxobutyl]-2,2-dimethylpropanamide
CID 60718041
3-(tert-butylamino)-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide
CID 79377535
N-[4-[methoxy(methyl)amino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 55027776
3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-3-oxopropanoic acid
CID 79385431
6-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-4,4-dimethylhexanamide
CID 79379068
2-[4-(2,2-dimethylpropanoylamino)butanoyl-methylamino]-2-methylpropanoic acid
CID 62817602
N-ethyl-N-(2-hydroxy-2-methylpropyl)pent-4-ynamide
CID 106741540
3-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]propanoic acid
CID 79386088
(2S)-2-amino-N-[4-(diethylamino)-4-oxobutyl]-3,3-dimethylbutanamide;hydrochloride
CID 119728295
2,2-dimethyl-N-tetradecylpropanamide
CID 11220230
N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylbutanamide
CID 79387562

Frequently Asked Questions

What is the IUPAC name of N-[4-[ethyl-(2-hydroxy-2-methylpropyl)amino]-4-oxobutyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-[ethyl-(2-hydroxy-2-methylpropyl)amino]-4-oxobutyl]-2,2-dimethylpropanamide (CID 79387815) is N-[4-[ethyl-(2-hydroxy-2-methylpropyl)amino]-4-oxobutyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-[ethyl-(2-hydroxy-2-methylpropyl)amino]-4-oxobutyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-[ethyl-(2-hydroxy-2-methylpropyl)amino]-4-oxobutyl]-2,2-dimethylpropanamide is CCN(CC(C)(C)O)C(=O)CCCNC(=O)C(C)(C)C.
What is the InChIKey of N-[4-[ethyl-(2-hydroxy-2-methylpropyl)amino]-4-oxobutyl]-2,2-dimethylpropanamide?
The InChIKey is KDIPFADBVQHVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-7-17(11-15(5,6)20)12(18)9-8-10-16-13(19)14(2,3)4/h20H,7-11H2,1-6H3,(H,16,19).
What are the key properties of N-[4-[ethyl-(2-hydroxy-2-methylpropyl)amino]-4-oxobutyl]-2,2-dimethylpropanamide?
N-[4-[ethyl-(2-hydroxy-2-methylpropyl)amino]-4-oxobutyl]-2,2-dimethylpropanamide has a molecular weight of 286.42 g/mol, XLogP of 1.55, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[ethyl-(2-hydroxy-2-methylpropyl)amino]-4-oxobutyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 79387815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).