N-(3-amino-3-phenylpropyl)-2-ethylbutanamide

C15H24N2O — CID 80506593

IUPACN-(3-amino-3-phenylpropyl)-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCCC(N)c1ccccc1
InChIInChI=1S/C15H24N2O/c1-3-12(4-2)15(18)17-11-10-14(16)13-8-6-5-7-9-13/h5-9,12,14H,3-4,10-11,16H2,1-2H3,(H,17,18)
InChIKeyBQQIBRHZTLMRON-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.63
Rot. Bonds7

About N-(3-amino-3-phenylpropyl)-2-ethylbutanamide

N-(3-amino-3-phenylpropyl)-2-ethylbutanamide (PubChem CID 80506593) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-(3-amino-3-phenylpropyl)-2-ethylbutanamide.

Molecular Properties

Compound NameN-(3-amino-3-phenylpropyl)-2-ethylbutanamide
PubChem CID80506593
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-(3-amino-3-phenylpropyl)-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCCC(N)c1ccccc1
InChIInChI=1S/C15H24N2O/c1-3-12(4-2)15(18)17-11-10-14(16)13-8-6-5-7-9-13/h5-9,12,14H,3-4,10-11,16H2,1-2H3,(H,17,18)
InChIKeyBQQIBRHZTLMRON-UHFFFAOYSA-N
XLogP2.63
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-3-phenylpropyl)benzamide
CID 80506685
N-(3-amino-3-phenylpropyl)-2-methyl-3-methylsulfanylpropanamide
CID 114221825
N-(3-amino-3-phenylpropyl)-3-methylbut-2-enamide
CID 80506602
(2R)-N-(3,3-diphenylpropyl)-2-ethylhexanamide
CID 7112392
N-(3-amino-3-phenylpropyl)octanamide
CID 80506646
N-(3-amino-3-phenylpropyl)-3-ethylthiophene-2-carboxamide
CID 80506631
N-(3-amino-3-phenylpropyl)-3,5-dihydroxybenzamide
CID 107705147
N-(3-amino-3-phenylpropyl)-3-bromobenzamide
CID 80506719
N-(3-amino-3-phenylpropyl)cyclopropanecarboxamide
CID 80506627
N-(3-amino-3-phenylpropyl)thiophene-2-carboxamide
CID 80506792
N-(3-amino-3-phenylpropyl)-3-hydroxy-4-methylbenzamide
CID 80507148
N-(3-amino-3-phenylpropyl)-3-phenylpropanamide
CID 80505663

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-phenylpropyl)-2-ethylbutanamide?
The IUPAC name of N-(3-amino-3-phenylpropyl)-2-ethylbutanamide (CID 80506593) is N-(3-amino-3-phenylpropyl)-2-ethylbutanamide.
What is the SMILES notation for N-(3-amino-3-phenylpropyl)-2-ethylbutanamide?
The canonical SMILES for N-(3-amino-3-phenylpropyl)-2-ethylbutanamide is CCC(CC)C(=O)NCCC(N)c1ccccc1.
What is the InChIKey of N-(3-amino-3-phenylpropyl)-2-ethylbutanamide?
The InChIKey is BQQIBRHZTLMRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-12(4-2)15(18)17-11-10-14(16)13-8-6-5-7-9-13/h5-9,12,14H,3-4,10-11,16H2,1-2H3,(H,17,18).
What are the key properties of N-(3-amino-3-phenylpropyl)-2-ethylbutanamide?
N-(3-amino-3-phenylpropyl)-2-ethylbutanamide has a molecular weight of 248.37 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-phenylpropyl)-2-ethylbutanamide is sourced from PubChem (CID 80506593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).