N-cyclopropyl-4-methoxy-3-(prop-2-ynylamino)benzamide

C14H16N2O2 — CID 171531137

IUPACN-cyclopropyl-4-methoxy-3-(prop-2-ynylamino)benzamide
SMILESC#CCNc1cc(C(=O)NC2CC2)ccc1OC
InChIInChI=1S/C14H16N2O2/c1-3-8-15-12-9-10(4-7-13(12)18-2)14(17)16-11-5-6-11/h1,4,7,9,11,15H,5-6,8H2,2H3,(H,16,17)
InChIKeyDJOUTDHDVVJZRH-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.63
Rot. Bonds5

About N-cyclopropyl-4-methoxy-3-(prop-2-ynylamino)benzamide

N-cyclopropyl-4-methoxy-3-(prop-2-ynylamino)benzamide (PubChem CID 171531137) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is N-cyclopropyl-4-methoxy-3-(prop-2-ynylamino)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methoxy-3-(prop-2-ynylamino)benzamide
PubChem CID171531137
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC NameN-cyclopropyl-4-methoxy-3-(prop-2-ynylamino)benzamide
SMILESC#CCNc1cc(C(=O)NC2CC2)ccc1OC
InChIInChI=1S/C14H16N2O2/c1-3-8-15-12-9-10(4-7-13(12)18-2)14(17)16-11-5-6-11/h1,4,7,9,11,15H,5-6,8H2,2H3,(H,16,17)
InChIKeyDJOUTDHDVVJZRH-UHFFFAOYSA-N
XLogP1.63
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.63
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

4-methoxy-3-(prop-2-ynylamino)benzamide
CID 63952284
N-cyclopropyl-3-ethyl-4-methoxybenzamide
CID 110761892
N-cyclopropyl-3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]-4-methylbenzamide
CID 55897484
3-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]amino]-N-cyclopropyl-4-methylbenzamide
CID 60536487
N-(4-bromocyclohexyl)-3,4-dimethoxybenzamide
CID 114309034
N-cyclohexyl-3,4-dimethoxybenzamide;hydrochloride
CID 67897205
N-cyclopropyl-3-[[2-[[2-(2-methoxy-5-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]amino]-4-methylbenzamide
CID 55898772
N-cyclobutyl-4-methoxy-3-methylbenzamide
CID 121342416
N-(4-chlorocyclohexyl)-4-fluoro-3-methoxybenzamide
CID 113271600
N-cyclohexyl-3-ethoxy-4-methoxybenzamide
CID 2992515
N-cycloheptyl-3-ethoxy-4-methoxybenzamide
CID 24539374
N-cyclopropyl-3-[[[(2R)-2,3-dihydroxypropyl]-methylcarbamoyl]amino]-4-methoxybenzamide
CID 97445237

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methoxy-3-(prop-2-ynylamino)benzamide?
The IUPAC name of N-cyclopropyl-4-methoxy-3-(prop-2-ynylamino)benzamide (CID 171531137) is N-cyclopropyl-4-methoxy-3-(prop-2-ynylamino)benzamide.
What is the SMILES notation for N-cyclopropyl-4-methoxy-3-(prop-2-ynylamino)benzamide?
The canonical SMILES for N-cyclopropyl-4-methoxy-3-(prop-2-ynylamino)benzamide is C#CCNc1cc(C(=O)NC2CC2)ccc1OC.
What is the InChIKey of N-cyclopropyl-4-methoxy-3-(prop-2-ynylamino)benzamide?
The InChIKey is DJOUTDHDVVJZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-3-8-15-12-9-10(4-7-13(12)18-2)14(17)16-11-5-6-11/h1,4,7,9,11,15H,5-6,8H2,2H3,(H,16,17).
What are the key properties of N-cyclopropyl-4-methoxy-3-(prop-2-ynylamino)benzamide?
N-cyclopropyl-4-methoxy-3-(prop-2-ynylamino)benzamide has a molecular weight of 244.29 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methoxy-3-(prop-2-ynylamino)benzamide is sourced from PubChem (CID 171531137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).