N-(1-cyclopropylethylideneamino)-2-(4-methoxyanilino)acetamide

C14H19N3O2 — CID 968169

IUPACN-(1-cyclopropylethylideneamino)-2-(4-methoxyanilino)acetamide
SMILESCOc1ccc(NCC(=O)NN=C(C)C2CC2)cc1
InChIInChI=1S/C14H19N3O2/c1-10(11-3-4-11)16-17-14(18)9-15-12-5-7-13(19-2)8-6-12/h5-8,11,15H,3-4,9H2,1-2H3,(H,17,18)
InChIKeyFCACBTJDWJEXKJ-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.01
Rot. Bonds6

About N-(1-cyclopropylethylideneamino)-2-(4-methoxyanilino)acetamide

N-(1-cyclopropylethylideneamino)-2-(4-methoxyanilino)acetamide (PubChem CID 968169) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-(1-cyclopropylethylideneamino)-2-(4-methoxyanilino)acetamide.

Molecular Properties

Compound NameN-(1-cyclopropylethylideneamino)-2-(4-methoxyanilino)acetamide
PubChem CID968169
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN-(1-cyclopropylethylideneamino)-2-(4-methoxyanilino)acetamide
SMILESCOc1ccc(NCC(=O)NN=C(C)C2CC2)cc1
InChIInChI=1S/C14H19N3O2/c1-10(11-3-4-11)16-17-14(18)9-15-12-5-7-13(19-2)8-6-12/h5-8,11,15H,3-4,9H2,1-2H3,(H,17,18)
InChIKeyFCACBTJDWJEXKJ-UHFFFAOYSA-N
XLogP2.01
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
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

2-(4-methoxyanilino)-N-[(Z)-4-methylpentan-2-ylideneamino]acetamide
CID 6167892
N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-2-(4-methoxyanilino)acetamide
CID 136742559
2-anilino-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]acetamide
CID 7784236
2-(4-fluoroanilino)-N-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]acetamide
CID 6370873
N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]-2-(4-methoxyanilino)acetamide
CID 7933131
3-(4-methoxyanilino)-N-(propan-2-ylideneamino)propanamide
CID 102095351
N-(fluoren-9-ylideneamino)-2-(4-methoxyanilino)acetamide
CID 7933106
N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-2-(4-methoxyanilino)acetamide
CID 135612298
N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-(4-methoxyanilino)acetamide
CID 136899311
2-(4-methoxyanilino)-N-(3-phenylpropylideneamino)acetamide
CID 4922169
N'-[2-(4-methoxyanilino)acetyl]cyclohex-3-ene-1-carbohydrazide
CID 18140071
2-(4-iodoanilino)-N-[(4-methoxyphenyl)methylideneamino]acetamide
CID 1243754

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethylideneamino)-2-(4-methoxyanilino)acetamide?
The IUPAC name of N-(1-cyclopropylethylideneamino)-2-(4-methoxyanilino)acetamide (CID 968169) is N-(1-cyclopropylethylideneamino)-2-(4-methoxyanilino)acetamide.
What is the SMILES notation for N-(1-cyclopropylethylideneamino)-2-(4-methoxyanilino)acetamide?
The canonical SMILES for N-(1-cyclopropylethylideneamino)-2-(4-methoxyanilino)acetamide is COc1ccc(NCC(=O)NN=C(C)C2CC2)cc1.
What is the InChIKey of N-(1-cyclopropylethylideneamino)-2-(4-methoxyanilino)acetamide?
The InChIKey is FCACBTJDWJEXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-10(11-3-4-11)16-17-14(18)9-15-12-5-7-13(19-2)8-6-12/h5-8,11,15H,3-4,9H2,1-2H3,(H,17,18).
What are the key properties of N-(1-cyclopropylethylideneamino)-2-(4-methoxyanilino)acetamide?
N-(1-cyclopropylethylideneamino)-2-(4-methoxyanilino)acetamide has a molecular weight of 261.32 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 N-(1-cyclopropylethylideneamino)-2-(4-methoxyanilino)acetamide is sourced from PubChem (CID 968169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).