3-(4-methoxyanilino)-N-(propan-2-ylideneamino)propanamide

C13H19N3O2 — CID 102095351

IUPAC3-(4-methoxyanilino)-N-(propan-2-ylideneamino)propanamide
SMILESCOc1ccc(NCCC(=O)NN=C(C)C)cc1
InChIInChI=1S/C13H19N3O2/c1-10(2)15-16-13(17)8-9-14-11-4-6-12(18-3)7-5-11/h4-7,14H,8-9H2,1-3H3,(H,16,17)
InChIKeyKSOLJIJBDPFNKA-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.01
Rot. Bonds6

About 3-(4-methoxyanilino)-N-(propan-2-ylideneamino)propanamide

3-(4-methoxyanilino)-N-(propan-2-ylideneamino)propanamide (PubChem CID 102095351) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-(4-methoxyanilino)-N-(propan-2-ylideneamino)propanamide.

Molecular Properties

Compound Name3-(4-methoxyanilino)-N-(propan-2-ylideneamino)propanamide
PubChem CID102095351
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name3-(4-methoxyanilino)-N-(propan-2-ylideneamino)propanamide
SMILESCOc1ccc(NCCC(=O)NN=C(C)C)cc1
InChIInChI=1S/C13H19N3O2/c1-10(2)15-16-13(17)8-9-14-11-4-6-12(18-3)7-5-11/h4-7,14H,8-9H2,1-3H3,(H,16,17)
InChIKeyKSOLJIJBDPFNKA-UHFFFAOYSA-N
XLogP2.01
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-acetamidophenyl)-3-(4-methoxyanilino)propanamide
CID 109039685
4-(4-methoxyanilino)-N-[(Z)-1-phenylethylideneamino]butanamide
CID 6380566
3-(4-methoxyanilino)-N-propylpropanamide
CID 109011414
N-butyl-3-(4-methoxyanilino)propanamide
CID 109012293
N-(4-chlorophenyl)-3-(4-methoxyanilino)propanamide
CID 109038116
4-(4-methoxyanilino)-N-[(4-methoxyphenyl)methylideneamino]butanamide
CID 3489457
4-[(6-methoxynaphthalen-2-yl)amino]butan-2-one
CID 115235467
N-[2-(dimethylamino)ethyl]-3-(4-methoxyanilino)propanamide
CID 109016275
N-(3,5-dichlorophenyl)-3-(4-methoxyanilino)propanamide
CID 109039721
N-(4-methoxyphenyl)-3-(4-phenoxyanilino)propanamide
CID 109039635
3-(4-methoxyanilino)-N-(4-phenoxyphenyl)propanamide
CID 109039699
N-[(4-methoxyphenyl)methyl]-3-(4-methylanilino)propanamide
CID 8833236

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyanilino)-N-(propan-2-ylideneamino)propanamide?
The IUPAC name of 3-(4-methoxyanilino)-N-(propan-2-ylideneamino)propanamide (CID 102095351) is 3-(4-methoxyanilino)-N-(propan-2-ylideneamino)propanamide.
What is the SMILES notation for 3-(4-methoxyanilino)-N-(propan-2-ylideneamino)propanamide?
The canonical SMILES for 3-(4-methoxyanilino)-N-(propan-2-ylideneamino)propanamide is COc1ccc(NCCC(=O)NN=C(C)C)cc1.
What is the InChIKey of 3-(4-methoxyanilino)-N-(propan-2-ylideneamino)propanamide?
The InChIKey is KSOLJIJBDPFNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-10(2)15-16-13(17)8-9-14-11-4-6-12(18-3)7-5-11/h4-7,14H,8-9H2,1-3H3,(H,16,17).
What are the key properties of 3-(4-methoxyanilino)-N-(propan-2-ylideneamino)propanamide?
3-(4-methoxyanilino)-N-(propan-2-ylideneamino)propanamide has a molecular weight of 249.31 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyanilino)-N-(propan-2-ylideneamino)propanamide is sourced from PubChem (CID 102095351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).