N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-4-methoxybenzamide

C20H21N3O3 — CID 3473892

IUPACN-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NN=C(C)c2ccc(NC(=O)C3CC3)cc2)cc1
InChIInChI=1S/C20H21N3O3/c1-13(22-23-20(25)16-7-11-18(26-2)12-8-16)14-5-9-17(10-6-14)21-19(24)15-3-4-15/h5-12,15H,3-4H2,1-2H3,(H,21,24)(H,23,25)
InChIKeySBNKBGIJQGXQDZ-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.20
Rot. Bonds6

About N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-4-methoxybenzamide

N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-4-methoxybenzamide (PubChem CID 3473892) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-4-methoxybenzamide
PubChem CID3473892
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NN=C(C)c2ccc(NC(=O)C3CC3)cc2)cc1
InChIInChI=1S/C20H21N3O3/c1-13(22-23-20(25)16-7-11-18(26-2)12-8-16)14-5-9-17(10-6-14)21-19(24)15-3-4-15/h5-12,15H,3-4H2,1-2H3,(H,21,24)(H,23,25)
InChIKeySBNKBGIJQGXQDZ-UHFFFAOYSA-N
XLogP3.20
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-4-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(4-bromophenyl)ethylideneamino]-4-(cyclopropanecarbonylamino)benzamide
CID 4507337
1-N,4-N-bis[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]benzene-1,4-dicarboxamide
CID 3422993
N-[(Z)-1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-4-ethoxybenzamide
CID 6390821
4-benzamido-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide
CID 3289478
4-(cyclohexanecarbonylamino)-N-[1-(4-methylphenyl)ethylideneamino]benzamide
CID 4510434
4-[(4-chlorobenzoyl)amino]-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide
CID 4633062
4-tert-butyl-N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]benzamide
CID 4250285
4-chloro-N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]benzamide
CID 4047404
4-(cyclopentanecarbonylamino)-N-(4-methoxyphenyl)benzamide
CID 2677112
N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-2-methoxybenzamide
CID 4177101
4-(cyclopropanecarbonylamino)-N-[1-(furan-2-yl)ethylideneamino]benzamide
CID 921018
N-[(Z)-1-[4-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-2-fluorobenzamide
CID 6108928

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-4-methoxybenzamide?
The IUPAC name of N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-4-methoxybenzamide (CID 3473892) is N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-4-methoxybenzamide.
What is the SMILES notation for N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-4-methoxybenzamide?
The canonical SMILES for N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-4-methoxybenzamide is COc1ccc(C(=O)NN=C(C)c2ccc(NC(=O)C3CC3)cc2)cc1.
What is the InChIKey of N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-4-methoxybenzamide?
The InChIKey is SBNKBGIJQGXQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-13(22-23-20(25)16-7-11-18(26-2)12-8-16)14-5-9-17(10-6-14)21-19(24)15-3-4-15/h5-12,15H,3-4H2,1-2H3,(H,21,24)(H,23,25).
What are the key properties of N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-4-methoxybenzamide?
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-4-methoxybenzamide has a molecular weight of 351.41 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-4-methoxybenzamide is sourced from PubChem (CID 3473892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).