4-methyl-N-[N'-(5-phenylpentyl)carbamimidoyl]benzamide

C20H25N3O — CID 22149344

IUPAC4-methyl-N-[N'-(5-phenylpentyl)carbamimidoyl]benzamide
SMILESCc1ccc(C(=O)N/C(N)=N/CCCCCc2ccccc2)cc1
InChIInChI=1S/C20H25N3O/c1-16-11-13-18(14-12-16)19(24)23-20(21)22-15-7-3-6-10-17-8-4-2-5-9-17/h2,4-5,8-9,11-14H,3,6-7,10,15H2,1H3,(H3,21,22,23,24)
InChIKeyHSVNNPJEZQWEKQ-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.45
Rot. Bonds7

About 4-methyl-N-[N'-(5-phenylpentyl)carbamimidoyl]benzamide

4-methyl-N-[N'-(5-phenylpentyl)carbamimidoyl]benzamide (PubChem CID 22149344) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 4-methyl-N-[N'-(5-phenylpentyl)carbamimidoyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[N'-(5-phenylpentyl)carbamimidoyl]benzamide
PubChem CID22149344
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name4-methyl-N-[N'-(5-phenylpentyl)carbamimidoyl]benzamide
SMILESCc1ccc(C(=O)N/C(N)=N/CCCCCc2ccccc2)cc1
InChIInChI=1S/C20H25N3O/c1-16-11-13-18(14-12-16)19(24)23-20(21)22-15-7-3-6-10-17-8-4-2-5-9-17/h2,4-5,8-9,11-14H,3,6-7,10,15H2,1H3,(H3,21,22,23,24)
InChIKeyHSVNNPJEZQWEKQ-UHFFFAOYSA-N
XLogP3.45
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-(4-Propylaminobutyl)-4-biphenylcarboxamide
CID 25139331
N-Butyl-N'-(4-methyl-benzoyl)-guanidine
CID 10955473
N-(4-Methyl-benzoyl)-N''-phenethyl-guanidine
CID 22149251
N-(Naphthalene-1-carbonyl)-N''-(4-phenyl-butyl)-guanidine
CID 22149297
4-phenyl-N-(propan-2-ylcarbamothioyl)benzamide
CID 974402
N-[benzyl(methyl)carbamothioyl]-4-phenylbenzamide
CID 1015208
N,N-diallyl-N'-([1,1'-biphenyl]-4-ylcarbonyl)thiourea
CID 1791929
N-(dipropylcarbamothioyl)-4-phenylbenzamide
CID 2224292
4-methyl-N-[2-(2-methylbenzoyl)-3-oxo-2,3-dihydro-1,2,4-thiadiazol-5-yl]benzenecarboxamide
CID 4269270
N-(benzylcarbamothioyl)-4-methylbenzamide
CID 805699
N-[benzyl(methyl)carbamothioyl]-4-methylbenzamide
CID 833545
N-(4-Methyl-benzoyl)-N''-(4-phenyl-butyl)-guanidine
CID 9819588

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[N'-(5-phenylpentyl)carbamimidoyl]benzamide?
The IUPAC name of 4-methyl-N-[N'-(5-phenylpentyl)carbamimidoyl]benzamide (CID 22149344) is 4-methyl-N-[N'-(5-phenylpentyl)carbamimidoyl]benzamide.
What is the SMILES notation for 4-methyl-N-[N'-(5-phenylpentyl)carbamimidoyl]benzamide?
The canonical SMILES for 4-methyl-N-[N'-(5-phenylpentyl)carbamimidoyl]benzamide is Cc1ccc(C(=O)N/C(N)=N/CCCCCc2ccccc2)cc1.
What is the InChIKey of 4-methyl-N-[N'-(5-phenylpentyl)carbamimidoyl]benzamide?
The InChIKey is HSVNNPJEZQWEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-16-11-13-18(14-12-16)19(24)23-20(21)22-15-7-3-6-10-17-8-4-2-5-9-17/h2,4-5,8-9,11-14H,3,6-7,10,15H2,1H3,(H3,21,22,23,24).
What are the key properties of 4-methyl-N-[N'-(5-phenylpentyl)carbamimidoyl]benzamide?
4-methyl-N-[N'-(5-phenylpentyl)carbamimidoyl]benzamide has a molecular weight of 323.44 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[N'-(5-phenylpentyl)carbamimidoyl]benzamide is sourced from PubChem (CID 22149344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).