N-[3-(3-aminoprop-1-ynyl)phenyl]-2-methoxybenzamide

C17H16N2O2 — CID 60802580

IUPACN-[3-(3-aminoprop-1-ynyl)phenyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1cccc(C#CCN)c1
InChIInChI=1S/C17H16N2O2/c1-21-16-10-3-2-9-15(16)17(20)19-14-8-4-6-13(12-14)7-5-11-18/h2-4,6,8-10,12H,11,18H2,1H3,(H,19,20)
InChIKeyOMRGBRRPXWCDTR-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.26
Rot. Bonds3

About N-[3-(3-aminoprop-1-ynyl)phenyl]-2-methoxybenzamide

N-[3-(3-aminoprop-1-ynyl)phenyl]-2-methoxybenzamide (PubChem CID 60802580) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-[3-(3-aminoprop-1-ynyl)phenyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[3-(3-aminoprop-1-ynyl)phenyl]-2-methoxybenzamide
PubChem CID60802580
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC NameN-[3-(3-aminoprop-1-ynyl)phenyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1cccc(C#CCN)c1
InChIInChI=1S/C17H16N2O2/c1-21-16-10-3-2-9-15(16)17(20)19-14-8-4-6-13(12-14)7-5-11-18/h2-4,6,8-10,12H,11,18H2,1H3,(H,19,20)
InChIKeyOMRGBRRPXWCDTR-UHFFFAOYSA-N
XLogP2.26
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(3-aminoprop-1-ynyl)phenyl]-2,3-dimethylbenzamide
CID 60803778
N-[2-(3-aminoprop-1-ynyl)phenyl]-2-methoxybenzamide
CID 60802368
N-[3-(hydroxymethyl)phenyl]-2-methoxybenzamide
CID 51891435
N-[3-(3-hydroxyprop-1-ynyl)phenyl]-3-methoxypyridine-4-carboxamide
CID 105064266
N-(3-cyanophenyl)-2-hydroxy-3-methoxybenzamide
CID 24706951
2-methoxy-N-[3-[(2-methoxyacetyl)amino]phenyl]benzamide
CID 38397232
N-[3-(3-aminoprop-1-ynyl)phenyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66477904
N-[3-(3-aminoprop-1-ynyl)phenyl]-2-propan-2-yloxyacetamide
CID 112603659
2-methoxy-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]benzamide
CID 108933228
N-[3-(3-aminoprop-1-ynyl)phenyl]-2-fluoro-6-hydroxybenzamide
CID 107016186
N-[4-[(2-aminoacetyl)amino]-2-methoxyphenyl]-2-methoxybenzamide
CID 39184598
5-(3-aminoprop-1-ynyl)-N-(3-fluorophenyl)-2-methylbenzamide
CID 65310829

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-aminoprop-1-ynyl)phenyl]-2-methoxybenzamide?
The IUPAC name of N-[3-(3-aminoprop-1-ynyl)phenyl]-2-methoxybenzamide (CID 60802580) is N-[3-(3-aminoprop-1-ynyl)phenyl]-2-methoxybenzamide.
What is the SMILES notation for N-[3-(3-aminoprop-1-ynyl)phenyl]-2-methoxybenzamide?
The canonical SMILES for N-[3-(3-aminoprop-1-ynyl)phenyl]-2-methoxybenzamide is COc1ccccc1C(=O)Nc1cccc(C#CCN)c1.
What is the InChIKey of N-[3-(3-aminoprop-1-ynyl)phenyl]-2-methoxybenzamide?
The InChIKey is OMRGBRRPXWCDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-21-16-10-3-2-9-15(16)17(20)19-14-8-4-6-13(12-14)7-5-11-18/h2-4,6,8-10,12H,11,18H2,1H3,(H,19,20).
What are the key properties of N-[3-(3-aminoprop-1-ynyl)phenyl]-2-methoxybenzamide?
N-[3-(3-aminoprop-1-ynyl)phenyl]-2-methoxybenzamide has a molecular weight of 280.33 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-aminoprop-1-ynyl)phenyl]-2-methoxybenzamide is sourced from PubChem (CID 60802580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).