2-amino-N-[(1S)-1-(3-methoxyphenyl)ethyl]-5-methylbenzamide

C17H20N2O2 — CID 81355155

IUPAC2-amino-N-[(1S)-1-(3-methoxyphenyl)ethyl]-5-methylbenzamide
SMILESCOc1cccc([C@H](C)NC(=O)c2cc(C)ccc2N)c1
InChIInChI=1S/C17H20N2O2/c1-11-7-8-16(18)15(9-11)17(20)19-12(2)13-5-4-6-14(10-13)21-3/h4-10,12H,18H2,1-3H3,(H,19,20)/t12-/m0/s1
InChIKeyOEZCBOJWRKLTRT-LBPRGKRZSA-N
MW284.36 g/mol
LogP3.08
Rot. Bonds4

About 2-amino-N-[(1S)-1-(3-methoxyphenyl)ethyl]-5-methylbenzamide

2-amino-N-[(1S)-1-(3-methoxyphenyl)ethyl]-5-methylbenzamide (PubChem CID 81355155) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-amino-N-[(1S)-1-(3-methoxyphenyl)ethyl]-5-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-[(1S)-1-(3-methoxyphenyl)ethyl]-5-methylbenzamide
PubChem CID81355155
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name2-amino-N-[(1S)-1-(3-methoxyphenyl)ethyl]-5-methylbenzamide
SMILESCOc1cccc([C@H](C)NC(=O)c2cc(C)ccc2N)c1
InChIInChI=1S/C17H20N2O2/c1-11-7-8-16(18)15(9-11)17(20)19-12(2)13-5-4-6-14(10-13)21-3/h4-10,12H,18H2,1-3H3,(H,19,20)/t12-/m0/s1
InChIKeyOEZCBOJWRKLTRT-LBPRGKRZSA-N
XLogP3.08
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-[1-(3-methoxyphenyl)ethyl]benzamide
CID 17329704
2-amino-N-(3-methoxyphenyl)-5-methylbenzamide
CID 55069541
4-amino-N-[1-(3-methoxyphenyl)ethyl]benzamide
CID 60927518
4-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]benzamide
CID 81373217
2-amino-N-[1-(4-chlorophenyl)ethyl]-5-methoxybenzamide
CID 61118306
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2,5-dimethylbenzamide
CID 42961731
3-bromo-2-chloro-N-[1-(3-methoxyphenyl)ethyl]benzamide
CID 103985511
2,3-dimethoxy-N-[(1S)-1-(3-methoxyphenyl)ethyl]benzamide
CID 842039
5-(aminomethyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]furan-2-carboxamide
CID 81373778
N-[1-(3-methoxyphenyl)ethyl]-2-phenylbenzamide
CID 154835213
5-bromo-N-[1-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide
CID 17329824
2-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]propanamide
CID 81372926

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1S)-1-(3-methoxyphenyl)ethyl]-5-methylbenzamide?
The IUPAC name of 2-amino-N-[(1S)-1-(3-methoxyphenyl)ethyl]-5-methylbenzamide (CID 81355155) is 2-amino-N-[(1S)-1-(3-methoxyphenyl)ethyl]-5-methylbenzamide.
What is the SMILES notation for 2-amino-N-[(1S)-1-(3-methoxyphenyl)ethyl]-5-methylbenzamide?
The canonical SMILES for 2-amino-N-[(1S)-1-(3-methoxyphenyl)ethyl]-5-methylbenzamide is COc1cccc([C@H](C)NC(=O)c2cc(C)ccc2N)c1.
What is the InChIKey of 2-amino-N-[(1S)-1-(3-methoxyphenyl)ethyl]-5-methylbenzamide?
The InChIKey is OEZCBOJWRKLTRT-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-11-7-8-16(18)15(9-11)17(20)19-12(2)13-5-4-6-14(10-13)21-3/h4-10,12H,18H2,1-3H3,(H,19,20)/t12-/m0/s1.
What are the key properties of 2-amino-N-[(1S)-1-(3-methoxyphenyl)ethyl]-5-methylbenzamide?
2-amino-N-[(1S)-1-(3-methoxyphenyl)ethyl]-5-methylbenzamide has a molecular weight of 284.36 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1S)-1-(3-methoxyphenyl)ethyl]-5-methylbenzamide is sourced from PubChem (CID 81355155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).