4-(cyclopropanecarbonylamino)-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]benzamide

C20H21N3O3 — CID 135560459

IUPAC4-(cyclopropanecarbonylamino)-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]benzamide
SMILESCC/C(=N\NC(=O)c1ccc(NC(=O)C2CC2)cc1)c1ccc(O)cc1
InChIInChI=1S/C20H21N3O3/c1-2-18(13-7-11-17(24)12-8-13)22-23-20(26)15-5-9-16(10-6-15)21-19(25)14-3-4-14/h5-12,14,24H,2-4H2,1H3,(H,21,25)(H,23,26)/b22-18+
InChIKeyBZDGDBKCUQNZQR-RELWKKBWSA-N
MW351.41 g/mol
LogP3.28
Rot. Bonds6

About 4-(cyclopropanecarbonylamino)-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]benzamide

4-(cyclopropanecarbonylamino)-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]benzamide (PubChem CID 135560459) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 4-(cyclopropanecarbonylamino)-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]benzamide.

Molecular Properties

Compound Name4-(cyclopropanecarbonylamino)-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]benzamide
PubChem CID135560459
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name4-(cyclopropanecarbonylamino)-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]benzamide
SMILESCC/C(=N\NC(=O)c1ccc(NC(=O)C2CC2)cc1)c1ccc(O)cc1
InChIInChI=1S/C20H21N3O3/c1-2-18(13-7-11-17(24)12-8-13)22-23-20(26)15-5-9-16(10-6-15)21-19(25)14-3-4-14/h5-12,14,24H,2-4H2,1H3,(H,21,25)(H,23,26)/b22-18+
InChIKeyBZDGDBKCUQNZQR-RELWKKBWSA-N
XLogP3.28
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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

4-acetamido-N-[1-(4-hydroxyphenyl)propylideneamino]benzamide
CID 910379
N-[4-[[(E)-1-(4-hydroxyphenyl)propylideneamino]carbamoyl]phenyl]-2-methylbenzamide
CID 135625816
N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-4-(pentanoylamino)benzamide
CID 135681181
4-ethyl-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]benzamide
CID 135673772
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
4-(cyclopropanecarbonylamino)-N-[1-(furan-2-yl)ethylideneamino]benzamide
CID 921018
N-[(E)-1-(4-hydroxyphenyl)propylideneamino]acetamide
CID 135720029
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-4-methoxybenzamide
CID 3473892
N'-[(E)-1-(4-hydroxyphenyl)propylideneamino]-N-phenylbutanediamide
CID 135560062
4-(pentanoylamino)-N-(1-phenylpropylideneamino)benzamide
CID 4926136
N-[1-(4-hydroxyphenyl)propylideneamino]-4-phenylmethoxybenzamide
CID 4933037

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropanecarbonylamino)-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]benzamide?
The IUPAC name of 4-(cyclopropanecarbonylamino)-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]benzamide (CID 135560459) is 4-(cyclopropanecarbonylamino)-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]benzamide.
What is the SMILES notation for 4-(cyclopropanecarbonylamino)-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]benzamide?
The canonical SMILES for 4-(cyclopropanecarbonylamino)-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]benzamide is CC/C(=N\NC(=O)c1ccc(NC(=O)C2CC2)cc1)c1ccc(O)cc1.
What is the InChIKey of 4-(cyclopropanecarbonylamino)-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]benzamide?
The InChIKey is BZDGDBKCUQNZQR-RELWKKBWSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-2-18(13-7-11-17(24)12-8-13)22-23-20(26)15-5-9-16(10-6-15)21-19(25)14-3-4-14/h5-12,14,24H,2-4H2,1H3,(H,21,25)(H,23,26)/b22-18+.
What are the key properties of 4-(cyclopropanecarbonylamino)-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]benzamide?
4-(cyclopropanecarbonylamino)-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]benzamide has a molecular weight of 351.41 g/mol, XLogP of 3.28, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropanecarbonylamino)-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]benzamide is sourced from PubChem (CID 135560459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).