N-[(E)-1-phenylethylideneamino]-4-(2-propylpentanoylamino)benzamide

C23H29N3O2 — CID 177461026

IUPACN-[(E)-1-phenylethylideneamino]-4-(2-propylpentanoylamino)benzamide
SMILESCCCC(CCC)C(=O)Nc1ccc(C(=O)N/N=C(\C)c2ccccc2)cc1
InChIInChI=1S/C23H29N3O2/c1-4-9-19(10-5-2)22(27)24-21-15-13-20(14-16-21)23(28)26-25-17(3)18-11-7-6-8-12-18/h6-8,11-16,19H,4-5,9-10H2,1-3H3,(H,24,27)(H,26,28)/b25-17+
InChIKeyHTWGHKDQTIOPEI-KOEQRZSOSA-N
MW379.50 g/mol
LogP5.00
Rot. Bonds9

About N-[(E)-1-phenylethylideneamino]-4-(2-propylpentanoylamino)benzamide

N-[(E)-1-phenylethylideneamino]-4-(2-propylpentanoylamino)benzamide (PubChem CID 177461026) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-[(E)-1-phenylethylideneamino]-4-(2-propylpentanoylamino)benzamide.

Molecular Properties

Compound NameN-[(E)-1-phenylethylideneamino]-4-(2-propylpentanoylamino)benzamide
PubChem CID177461026
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN-[(E)-1-phenylethylideneamino]-4-(2-propylpentanoylamino)benzamide
SMILESCCCC(CCC)C(=O)Nc1ccc(C(=O)N/N=C(\C)c2ccccc2)cc1
InChIInChI=1S/C23H29N3O2/c1-4-9-19(10-5-2)22(27)24-21-15-13-20(14-16-21)23(28)26-25-17(3)18-11-7-6-8-12-18/h6-8,11-16,19H,4-5,9-10H2,1-3H3,(H,24,27)(H,26,28)/b25-17+
InChIKeyHTWGHKDQTIOPEI-KOEQRZSOSA-N
XLogP5.00
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-benzamido-N-[(Z)-1-(4-bromophenyl)ethylideneamino]benzamide
CID 6272222
N-[1-(4-ethylphenyl)ethylideneamino]benzamide
CID 5085468
N-[(Z)-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]benzamide
CID 5412073
4-benzamido-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide
CID 3289478
N-[4-(N-benzamido-C-methylcarbonimidoyl)phenyl]thiophene-2-carboxamide
CID 4069311
4-hydroxy-N-[(Z)-1-[4-[(2-phenylacetyl)amino]phenyl]ethylideneamino]benzamide
CID 26871428
4-benzamido-N-[1-(4-nitrophenyl)ethylideneamino]benzamide
CID 3289474
4-benzamido-N-[(E)-1-phenylbutylideneamino]benzamide
CID 6367877
N-[1-(4-ethoxyphenyl)ethylideneamino]benzamide
CID 912000
4-tert-butyl-N-[4-[[1-(4-phenylphenyl)ethylideneamino]carbamoyl]phenyl]benzamide
CID 3370740
N-[1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]-4-phenylbenzamide
CID 4099820
N-[(Z)-1-[4-(2-anilino-2-oxoethoxy)phenyl]ethylideneamino]benzamide
CID 9058750

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-phenylethylideneamino]-4-(2-propylpentanoylamino)benzamide?
The IUPAC name of N-[(E)-1-phenylethylideneamino]-4-(2-propylpentanoylamino)benzamide (CID 177461026) is N-[(E)-1-phenylethylideneamino]-4-(2-propylpentanoylamino)benzamide.
What is the SMILES notation for N-[(E)-1-phenylethylideneamino]-4-(2-propylpentanoylamino)benzamide?
The canonical SMILES for N-[(E)-1-phenylethylideneamino]-4-(2-propylpentanoylamino)benzamide is CCCC(CCC)C(=O)Nc1ccc(C(=O)N/N=C(\C)c2ccccc2)cc1.
What is the InChIKey of N-[(E)-1-phenylethylideneamino]-4-(2-propylpentanoylamino)benzamide?
The InChIKey is HTWGHKDQTIOPEI-KOEQRZSOSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-4-9-19(10-5-2)22(27)24-21-15-13-20(14-16-21)23(28)26-25-17(3)18-11-7-6-8-12-18/h6-8,11-16,19H,4-5,9-10H2,1-3H3,(H,24,27)(H,26,28)/b25-17+.
What are the key properties of N-[(E)-1-phenylethylideneamino]-4-(2-propylpentanoylamino)benzamide?
N-[(E)-1-phenylethylideneamino]-4-(2-propylpentanoylamino)benzamide has a molecular weight of 379.50 g/mol, XLogP of 5.00, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-phenylethylideneamino]-4-(2-propylpentanoylamino)benzamide is sourced from PubChem (CID 177461026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).