N-(4-ethoxyphenyl)-3-(2-methylpropylamino)propanamide

C15H24N2O2 — CID 109012855

IUPACN-(4-ethoxyphenyl)-3-(2-methylpropylamino)propanamide
SMILESCCOc1ccc(NC(=O)CCNCC(C)C)cc1
InChIInChI=1S/C15H24N2O2/c1-4-19-14-7-5-13(6-8-14)17-15(18)9-10-16-11-12(2)3/h5-8,12,16H,4,9-11H2,1-3H3,(H,17,18)
InChIKeyFMTHRRYDYAONQW-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.66
Rot. Bonds8

About N-(4-ethoxyphenyl)-3-(2-methylpropylamino)propanamide

N-(4-ethoxyphenyl)-3-(2-methylpropylamino)propanamide (PubChem CID 109012855) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-3-(2-methylpropylamino)propanamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-3-(2-methylpropylamino)propanamide
PubChem CID109012855
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN-(4-ethoxyphenyl)-3-(2-methylpropylamino)propanamide
SMILESCCOc1ccc(NC(=O)CCNCC(C)C)cc1
InChIInChI=1S/C15H24N2O2/c1-4-19-14-7-5-13(6-8-14)17-15(18)9-10-16-11-12(2)3/h5-8,12,16H,4,9-11H2,1-3H3,(H,17,18)
InChIKeyFMTHRRYDYAONQW-UHFFFAOYSA-N
XLogP2.66
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.66
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-methylphenyl)-3-(2-methylpropylamino)propanamide
CID 109012816
N-(4-ethoxyphenyl)-4-(propan-2-ylamino)butanamide
CID 54928721
N,N'-bis(4-ethoxyphenyl)nonanediamide
CID 4507995
N-[4-(dimethylamino)phenyl]-3-(2-methylpropylamino)propanamide
CID 109012874
N-(4-ethoxyphenyl)-3-[(4-fluorophenyl)methylamino]propanamide
CID 109021260
N-(4-ethoxyphenyl)-4-(methylamino)butanamide;hydrochloride
CID 119670696
3-acetamido-N-[4-(4-ethoxyphenoxy)phenyl]propanamide
CID 2117866
N-(4-ethoxyphenyl)-3-hydroxybutanamide
CID 14130
(2S)-5-(4-ethoxyanilino)-5-oxo-2-propan-2-ylpentanoate
CID 7372612
3-(4-acetylanilino)-N-(4-ethoxyphenyl)propanamide
CID 109039871
4-[2-[6-[2-[4-(4-ethoxyanilino)-4-oxobutanoyl]hydrazinyl]-6-oxohexanoyl]hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide
CID 5119959
4-[2-[5-[2-[4-(4-ethoxyanilino)-4-oxobutanoyl]hydrazinyl]-5-oxopentanoyl]hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide
CID 5119958

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-3-(2-methylpropylamino)propanamide?
The IUPAC name of N-(4-ethoxyphenyl)-3-(2-methylpropylamino)propanamide (CID 109012855) is N-(4-ethoxyphenyl)-3-(2-methylpropylamino)propanamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-3-(2-methylpropylamino)propanamide?
The canonical SMILES for N-(4-ethoxyphenyl)-3-(2-methylpropylamino)propanamide is CCOc1ccc(NC(=O)CCNCC(C)C)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-3-(2-methylpropylamino)propanamide?
The InChIKey is FMTHRRYDYAONQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-4-19-14-7-5-13(6-8-14)17-15(18)9-10-16-11-12(2)3/h5-8,12,16H,4,9-11H2,1-3H3,(H,17,18).
What are the key properties of N-(4-ethoxyphenyl)-3-(2-methylpropylamino)propanamide?
N-(4-ethoxyphenyl)-3-(2-methylpropylamino)propanamide has a molecular weight of 264.37 g/mol, XLogP of 2.66, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-3-(2-methylpropylamino)propanamide is sourced from PubChem (CID 109012855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).