N-cyclopropyl-3-(4-methoxy-3-methylanilino)propanamide

C14H20N2O2 — CID 62625952

IUPACN-cyclopropyl-3-(4-methoxy-3-methylanilino)propanamide
SMILESCOc1ccc(NCCC(=O)NC2CC2)cc1C
InChIInChI=1S/C14H20N2O2/c1-10-9-12(5-6-13(10)18-2)15-8-7-14(17)16-11-3-4-11/h5-6,9,11,15H,3-4,7-8H2,1-2H3,(H,16,17)
InChIKeyXBYZBKDSXMYKQS-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.08
Rot. Bonds6

About N-cyclopropyl-3-(4-methoxy-3-methylanilino)propanamide

N-cyclopropyl-3-(4-methoxy-3-methylanilino)propanamide (PubChem CID 62625952) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-cyclopropyl-3-(4-methoxy-3-methylanilino)propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(4-methoxy-3-methylanilino)propanamide
PubChem CID62625952
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-cyclopropyl-3-(4-methoxy-3-methylanilino)propanamide
SMILESCOc1ccc(NCCC(=O)NC2CC2)cc1C
InChIInChI=1S/C14H20N2O2/c1-10-9-12(5-6-13(10)18-2)15-8-7-14(17)16-11-3-4-11/h5-6,9,11,15H,3-4,7-8H2,1-2H3,(H,16,17)
InChIKeyXBYZBKDSXMYKQS-UHFFFAOYSA-N
XLogP2.08
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(cyclopropylamino)-N-(4-methoxy-3-methylphenyl)acetamide
CID 54964531
3-(3-bromo-4-methylanilino)-N-cyclopentylpropanamide
CID 109013519
N-(3-chloro-4-methoxyphenyl)-3-(3,4-dimethylanilino)propanamide
CID 109035530
1-cyclobutyl-3-(4-methoxy-3-methylphenyl)urea
CID 115617939
3-(3-acetyl-4-aminoanilino)-N-cyclopropylpropanamide
CID 104612970
N-(3-chloro-4-methoxyphenyl)-3-(3-chloro-4-methylanilino)propanamide
CID 109038668
ethane;2-(4-methoxy-3-methylanilino)ethanol
CID 142353980
N-cyclopentyl-2-(3,4-dimethylanilino)acetamide
CID 28580510
N-cyclopropyl-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
CID 18105952
N-(3-bromo-4-methylphenyl)-3-(3,4-dimethoxyanilino)propanamide
CID 109039288
N-(4,4-difluorocyclohexyl)-2-(4-methoxy-3-methylphenyl)acetamide
CID 121194081
methyl 4-[[3-(cycloheptylamino)-3-oxopropyl]amino]benzoate
CID 109031506

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(4-methoxy-3-methylanilino)propanamide?
The IUPAC name of N-cyclopropyl-3-(4-methoxy-3-methylanilino)propanamide (CID 62625952) is N-cyclopropyl-3-(4-methoxy-3-methylanilino)propanamide.
What is the SMILES notation for N-cyclopropyl-3-(4-methoxy-3-methylanilino)propanamide?
The canonical SMILES for N-cyclopropyl-3-(4-methoxy-3-methylanilino)propanamide is COc1ccc(NCCC(=O)NC2CC2)cc1C.
What is the InChIKey of N-cyclopropyl-3-(4-methoxy-3-methylanilino)propanamide?
The InChIKey is XBYZBKDSXMYKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10-9-12(5-6-13(10)18-2)15-8-7-14(17)16-11-3-4-11/h5-6,9,11,15H,3-4,7-8H2,1-2H3,(H,16,17).
What are the key properties of N-cyclopropyl-3-(4-methoxy-3-methylanilino)propanamide?
N-cyclopropyl-3-(4-methoxy-3-methylanilino)propanamide has a molecular weight of 248.33 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(4-methoxy-3-methylanilino)propanamide is sourced from PubChem (CID 62625952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).