3-(4-aminophenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]propanamide

C18H22N2O — CID 115341658

IUPAC3-(4-aminophenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]propanamide
SMILESCc1ccccc1[C@H](C)NC(=O)CCc1ccc(N)cc1
InChIInChI=1S/C18H22N2O/c1-13-5-3-4-6-17(13)14(2)20-18(21)12-9-15-7-10-16(19)11-8-15/h3-8,10-11,14H,9,12,19H2,1-2H3,(H,20,21)/t14-/m0/s1
InChIKeyBOWDOQJFGXIHMS-AWEZNQCLSA-N
MW282.39 g/mol
LogP3.39
Rot. Bonds5

About 3-(4-aminophenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]propanamide

3-(4-aminophenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]propanamide (PubChem CID 115341658) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 3-(4-aminophenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(4-aminophenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]propanamide
PubChem CID115341658
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name3-(4-aminophenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]propanamide
SMILESCc1ccccc1[C@H](C)NC(=O)CCc1ccc(N)cc1
InChIInChI=1S/C18H22N2O/c1-13-5-3-4-6-17(13)14(2)20-18(21)12-9-15-7-10-16(19)11-8-15/h3-8,10-11,14H,9,12,19H2,1-2H3,(H,20,21)/t14-/m0/s1
InChIKeyBOWDOQJFGXIHMS-AWEZNQCLSA-N
XLogP3.39
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(4-aminophenyl)-N-[1-(2-fluorophenyl)ethyl]propanamide
CID 61117007
3-amino-N-[(1S)-1-(2-methylphenyl)ethyl]propanamide
CID 81380300
3-(3,4-dichlorophenyl)-N-[(1R)-1-(2-methylphenyl)ethyl]propanamide
CID 100597681
N-[1-(2,5-dimethylphenyl)ethyl]-3-phenylpropanamide
CID 17327195
2-(3-aminophenyl)-N-[(1R)-1-(2-methylphenyl)ethyl]acetamide
CID 81380692
N-[1-(2-methylphenyl)ethyl]-2-phenylacetamide
CID 59082083
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(4-methylphenyl)propanamide
CID 93239788
5-hydroxy-N-[(1R)-1-(2-methylphenyl)ethyl]pentanamide
CID 81380310
3-(4-aminophenyl)-N-pentan-2-ylpropanamide
CID 43309033
N-[1-(2-methylphenyl)ethyl]-3-oxobutanamide
CID 18071549
2-bromo-N-[(1S)-1-(2-methylphenyl)ethyl]acetamide
CID 81374930
2-(5-amino-2-pyridinyl)-N-[1-(2-methylphenyl)ethyl]acetamide
CID 107338393

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]propanamide?
The IUPAC name of 3-(4-aminophenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]propanamide (CID 115341658) is 3-(4-aminophenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(4-aminophenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]propanamide?
The canonical SMILES for 3-(4-aminophenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]propanamide is Cc1ccccc1[C@H](C)NC(=O)CCc1ccc(N)cc1.
What is the InChIKey of 3-(4-aminophenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]propanamide?
The InChIKey is BOWDOQJFGXIHMS-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H22N2O/c1-13-5-3-4-6-17(13)14(2)20-18(21)12-9-15-7-10-16(19)11-8-15/h3-8,10-11,14H,9,12,19H2,1-2H3,(H,20,21)/t14-/m0/s1.
What are the key properties of 3-(4-aminophenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]propanamide?
3-(4-aminophenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]propanamide has a molecular weight of 282.39 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]propanamide is sourced from PubChem (CID 115341658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).