2-(3-aminophenyl)-N-[(1R)-1-(2-methylphenyl)ethyl]acetamide

C17H20N2O — CID 81380692

IUPAC2-(3-aminophenyl)-N-[(1R)-1-(2-methylphenyl)ethyl]acetamide
SMILESCc1ccccc1[C@@H](C)NC(=O)Cc1cccc(N)c1
InChIInChI=1S/C17H20N2O/c1-12-6-3-4-9-16(12)13(2)19-17(20)11-14-7-5-8-15(18)10-14/h3-10,13H,11,18H2,1-2H3,(H,19,20)/t13-/m1/s1
InChIKeyQKHVBCRMBKSYPB-CYBMUJFWSA-N
MW268.36 g/mol
LogP3.00
Rot. Bonds4

About 2-(3-aminophenyl)-N-[(1R)-1-(2-methylphenyl)ethyl]acetamide

2-(3-aminophenyl)-N-[(1R)-1-(2-methylphenyl)ethyl]acetamide (PubChem CID 81380692) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-[(1R)-1-(2-methylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-[(1R)-1-(2-methylphenyl)ethyl]acetamide
PubChem CID81380692
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name2-(3-aminophenyl)-N-[(1R)-1-(2-methylphenyl)ethyl]acetamide
SMILESCc1ccccc1[C@@H](C)NC(=O)Cc1cccc(N)c1
InChIInChI=1S/C17H20N2O/c1-12-6-3-4-9-16(12)13(2)19-17(20)11-14-7-5-8-15(18)10-14/h3-10,13H,11,18H2,1-2H3,(H,19,20)/t13-/m1/s1
InChIKeyQKHVBCRMBKSYPB-CYBMUJFWSA-N
XLogP3.00
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-aminophenyl)-N-[1-(2-chlorophenyl)ethyl]acetamide
CID 62499997
N-[1-(2-methylphenyl)ethyl]-2-phenylacetamide
CID 59082083
2-(3-aminophenyl)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 94459377
2-(4-methoxy-3-methylphenyl)-N-[1-(2-methylphenyl)ethyl]acetamide
CID 133187396
2-[2-(aminomethyl)phenyl]-N-[1-(2-methylphenyl)ethyl]acetamide
CID 81312311
3-(4-aminophenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]propanamide
CID 115341658
2-(5-amino-2-pyridinyl)-N-[1-(2-methylphenyl)ethyl]acetamide
CID 107338393
3-amino-N-[(1S)-1-(2-methylphenyl)ethyl]propanamide
CID 81380300
2-bromo-N-[(1S)-1-(2-methylphenyl)ethyl]acetamide
CID 81374930
N-[1-(2-methylphenyl)ethyl]-3-oxobutanamide
CID 18071549
2-(2-fluorophenyl)-N-[1-(2-methylphenyl)ethyl]acetamide
CID 18082306
2-[[2-(3-aminophenyl)acetyl]amino]-3-methylbutanamide
CID 106343741

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N-[(1R)-1-(2-methylphenyl)ethyl]acetamide?
The IUPAC name of 2-(3-aminophenyl)-N-[(1R)-1-(2-methylphenyl)ethyl]acetamide (CID 81380692) is 2-(3-aminophenyl)-N-[(1R)-1-(2-methylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(3-aminophenyl)-N-[(1R)-1-(2-methylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(3-aminophenyl)-N-[(1R)-1-(2-methylphenyl)ethyl]acetamide is Cc1ccccc1[C@@H](C)NC(=O)Cc1cccc(N)c1.
What is the InChIKey of 2-(3-aminophenyl)-N-[(1R)-1-(2-methylphenyl)ethyl]acetamide?
The InChIKey is QKHVBCRMBKSYPB-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H20N2O/c1-12-6-3-4-9-16(12)13(2)19-17(20)11-14-7-5-8-15(18)10-14/h3-10,13H,11,18H2,1-2H3,(H,19,20)/t13-/m1/s1.
What are the key properties of 2-(3-aminophenyl)-N-[(1R)-1-(2-methylphenyl)ethyl]acetamide?
2-(3-aminophenyl)-N-[(1R)-1-(2-methylphenyl)ethyl]acetamide has a molecular weight of 268.36 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-N-[(1R)-1-(2-methylphenyl)ethyl]acetamide is sourced from PubChem (CID 81380692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).