N-[(E)-benzylideneamino]-4-(pentanoylamino)benzamide

C19H21N3O2 — CID 6232539

IUPACN-[(E)-benzylideneamino]-4-(pentanoylamino)benzamide
SMILESCCCCC(=O)Nc1ccc(C(=O)N/N=C/c2ccccc2)cc1
InChIInChI=1S/C19H21N3O2/c1-2-3-9-18(23)21-17-12-10-16(11-13-17)19(24)22-20-14-15-7-5-4-6-8-15/h4-8,10-14H,2-3,9H2,1H3,(H,21,23)(H,22,24)/b20-14+
InChIKeyQPFGZZQGBDRPEA-XSFVSMFZSA-N
MW323.40 g/mol
LogP3.58
Rot. Bonds7

About N-[(E)-benzylideneamino]-4-(pentanoylamino)benzamide

N-[(E)-benzylideneamino]-4-(pentanoylamino)benzamide (PubChem CID 6232539) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[(E)-benzylideneamino]-4-(pentanoylamino)benzamide.

Molecular Properties

Compound NameN-[(E)-benzylideneamino]-4-(pentanoylamino)benzamide
PubChem CID6232539
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC NameN-[(E)-benzylideneamino]-4-(pentanoylamino)benzamide
SMILESCCCCC(=O)Nc1ccc(C(=O)N/N=C/c2ccccc2)cc1
InChIInChI=1S/C19H21N3O2/c1-2-3-9-18(23)21-17-12-10-16(11-13-17)19(24)22-20-14-15-7-5-4-6-8-15/h4-8,10-14H,2-3,9H2,1H3,(H,21,23)(H,22,24)/b20-14+
InChIKeyQPFGZZQGBDRPEA-XSFVSMFZSA-N
XLogP3.58
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.58
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

N-(benzylideneamino)-4-(pentanoylamino)benzamide
CID 4926082
N-[(3-fluorophenyl)methylideneamino]-4-(pentanoylamino)benzamide
CID 4981206
4-acetamido-N-[(Z)-benzylideneamino]benzamide
CID 5397950
4-(pentanoylamino)-N-(1-phenylpropylideneamino)benzamide
CID 4926136
4-(pentanoylamino)-N-(1-phenylhexylideneamino)benzamide
CID 4926193
N-[(E)-1H-indol-3-ylmethylideneamino]-4-(pentanoylamino)benzamide
CID 135678489
4-(pentanoylamino)-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 54788777
N-[(4-methoxy-3-methylphenyl)methylideneamino]-4-(pentanoylamino)benzamide
CID 4980442
4-(butanoylamino)-N-(1-phenylpentylideneamino)benzamide
CID 3380724
4-[4-[[(4-methylphenyl)methylideneamino]carbamoyl]anilino]-4-oxobutanoic acid
CID 1271190
N'-[(E)-benzylideneamino]-N-phenyloctanediamide
CID 23863272
N-[(4-methoxynaphthalen-1-yl)methylideneamino]-4-(pentanoylamino)benzamide
CID 4926033

Frequently Asked Questions

What is the IUPAC name of N-[(E)-benzylideneamino]-4-(pentanoylamino)benzamide?
The IUPAC name of N-[(E)-benzylideneamino]-4-(pentanoylamino)benzamide (CID 6232539) is N-[(E)-benzylideneamino]-4-(pentanoylamino)benzamide.
What is the SMILES notation for N-[(E)-benzylideneamino]-4-(pentanoylamino)benzamide?
The canonical SMILES for N-[(E)-benzylideneamino]-4-(pentanoylamino)benzamide is CCCCC(=O)Nc1ccc(C(=O)N/N=C/c2ccccc2)cc1.
What is the InChIKey of N-[(E)-benzylideneamino]-4-(pentanoylamino)benzamide?
The InChIKey is QPFGZZQGBDRPEA-XSFVSMFZSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-2-3-9-18(23)21-17-12-10-16(11-13-17)19(24)22-20-14-15-7-5-4-6-8-15/h4-8,10-14H,2-3,9H2,1H3,(H,21,23)(H,22,24)/b20-14+.
What are the key properties of N-[(E)-benzylideneamino]-4-(pentanoylamino)benzamide?
N-[(E)-benzylideneamino]-4-(pentanoylamino)benzamide has a molecular weight of 323.40 g/mol, XLogP of 3.58, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-benzylideneamino]-4-(pentanoylamino)benzamide is sourced from PubChem (CID 6232539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).