N-(cyclopentylideneamino)-4-(propanoylamino)benzamide

C15H19N3O2 — CID 910224

IUPACN-(cyclopentylideneamino)-4-(propanoylamino)benzamide
SMILESCCC(=O)Nc1ccc(C(=O)NN=C2CCCC2)cc1
InChIInChI=1S/C15H19N3O2/c1-2-14(19)16-12-9-7-11(8-10-12)15(20)18-17-13-5-3-4-6-13/h7-10H,2-6H2,1H3,(H,16,19)(H,18,20)
InChIKeyBUTLUQQLFGEJTF-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.69
Rot. Bonds4

About N-(cyclopentylideneamino)-4-(propanoylamino)benzamide

N-(cyclopentylideneamino)-4-(propanoylamino)benzamide (PubChem CID 910224) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-(cyclopentylideneamino)-4-(propanoylamino)benzamide.

Molecular Properties

Compound NameN-(cyclopentylideneamino)-4-(propanoylamino)benzamide
PubChem CID910224
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-(cyclopentylideneamino)-4-(propanoylamino)benzamide
SMILESCCC(=O)Nc1ccc(C(=O)NN=C2CCCC2)cc1
InChIInChI=1S/C15H19N3O2/c1-2-14(19)16-12-9-7-11(8-10-12)15(20)18-17-13-5-3-4-6-13/h7-10H,2-6H2,1H3,(H,16,19)(H,18,20)
InChIKeyBUTLUQQLFGEJTF-UHFFFAOYSA-N
XLogP2.69
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.69
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-(butanoylamino)-N-(cyclohexylideneamino)benzamide
CID 913662
4-acetamido-N-(cyclohexylideneamino)benzamide
CID 4510356
N-(cyclohexylideneamino)-4-(2-cyclohexylidenehydrazinyl)benzamide
CID 5074578
N-(cyclohexylideneamino)-4-(diethylamino)benzamide
CID 7929020
N-[(E)-butan-2-ylideneamino]-4-(propanoylamino)benzamide
CID 40539272
4-acetamido-N-[[(3R)-3-methylcyclohexylidene]amino]benzamide
CID 910317
N-cyclohexyl-4-(propanoylamino)benzamide
CID 977209
4-(propanoylamino)-N-[2-(propanoylamino)ethyl]benzamide
CID 121062260
4-(cyclohexanecarbonylamino)-N-[(3-methylcyclohexylidene)amino]benzamide
CID 4510435
4-acetamido-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]benzamide
CID 4924296
N-[4-[[(4-bromobenzoyl)amino]carbamoyl]phenyl]propanamide
CID 54790881
N-[(E)-(2,6-dichlorophenyl)methylideneamino]-4-(propanoylamino)benzamide
CID 6875652

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylideneamino)-4-(propanoylamino)benzamide?
The IUPAC name of N-(cyclopentylideneamino)-4-(propanoylamino)benzamide (CID 910224) is N-(cyclopentylideneamino)-4-(propanoylamino)benzamide.
What is the SMILES notation for N-(cyclopentylideneamino)-4-(propanoylamino)benzamide?
The canonical SMILES for N-(cyclopentylideneamino)-4-(propanoylamino)benzamide is CCC(=O)Nc1ccc(C(=O)NN=C2CCCC2)cc1.
What is the InChIKey of N-(cyclopentylideneamino)-4-(propanoylamino)benzamide?
The InChIKey is BUTLUQQLFGEJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-2-14(19)16-12-9-7-11(8-10-12)15(20)18-17-13-5-3-4-6-13/h7-10H,2-6H2,1H3,(H,16,19)(H,18,20).
What are the key properties of N-(cyclopentylideneamino)-4-(propanoylamino)benzamide?
N-(cyclopentylideneamino)-4-(propanoylamino)benzamide has a molecular weight of 273.34 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylideneamino)-4-(propanoylamino)benzamide is sourced from PubChem (CID 910224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).