2-methyl-N-[N'-(3-phenylpropyl)carbamimidoyl]benzamide

C18H21N3O — CID 22149221

IUPAC2-methyl-N-[N'-(3-phenylpropyl)carbamimidoyl]benzamide
SMILESCc1ccccc1C(=O)N/C(N)=N/CCCc1ccccc1
InChIInChI=1S/C18H21N3O/c1-14-8-5-6-12-16(14)17(22)21-18(19)20-13-7-11-15-9-3-2-4-10-15/h2-6,8-10,12H,7,11,13H2,1H3,(H3,19,20,21,22)
InChIKeyNMNGHMHSJDMYKK-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.67
Rot. Bonds5

About 2-methyl-N-[N'-(3-phenylpropyl)carbamimidoyl]benzamide

2-methyl-N-[N'-(3-phenylpropyl)carbamimidoyl]benzamide (PubChem CID 22149221) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 2-methyl-N-[N'-(3-phenylpropyl)carbamimidoyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[N'-(3-phenylpropyl)carbamimidoyl]benzamide
PubChem CID22149221
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name2-methyl-N-[N'-(3-phenylpropyl)carbamimidoyl]benzamide
SMILESCc1ccccc1C(=O)N/C(N)=N/CCCc1ccccc1
InChIInChI=1S/C18H21N3O/c1-14-8-5-6-12-16(14)17(22)21-18(19)20-13-7-11-15-9-3-2-4-10-15/h2-6,8-10,12H,7,11,13H2,1H3,(H3,19,20,21,22)
InChIKeyNMNGHMHSJDMYKK-UHFFFAOYSA-N
XLogP2.67
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.67
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

ethyl N-(2-methylbenzoyl)-N'-(3-phenylpropyl)carbamimidate
CID 7414333
3,5-diamino-6-chloro-N-[N'-(3-phenylpropyl)carbamimidoyl]pyrazine-2-carboxamide;hydrochloride
CID 11646674
1-phenyl-2-(3-phenylpropyl)guanidine
CID 62362092
2-(3-phenylpropyl)guanidine;hydrochloride
CID 141469420
1-(2-methylphenyl)-4-phenylbutan-1-one
CID 62621150
3,5-diamino-6-chloro-N-[N'-(8-phenyloctyl)carbamimidoyl]pyrazine-2-carboxamide;hydrochloride
CID 11719430
3,5-diamino-6-chloro-N-[N'-[4-[4-[3-[methyl(3-phenylpropyl)amino]propyl]phenyl]butyl]carbamimidoyl]pyrazine-2-carboxamide
CID 118148639
N-[4-(3-aminopropyl)phenyl]-2-methylbenzamide
CID 28754642
N'-(3-phenylpropyl)propanimidamide
CID 62049417
N-[N'-(2-benzylsulfanylethyl)carbamimidoyl]naphthalene-1-carboxamide
CID 22149303
N-[4-(2-aminoethyl)phenyl]-2-methylbenzamide
CID 28754496
N-[N'-(2-phenylethyl)carbamimidoyl]-1H-indole-2-carboxamide
CID 70215864

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[N'-(3-phenylpropyl)carbamimidoyl]benzamide?
The IUPAC name of 2-methyl-N-[N'-(3-phenylpropyl)carbamimidoyl]benzamide (CID 22149221) is 2-methyl-N-[N'-(3-phenylpropyl)carbamimidoyl]benzamide.
What is the SMILES notation for 2-methyl-N-[N'-(3-phenylpropyl)carbamimidoyl]benzamide?
The canonical SMILES for 2-methyl-N-[N'-(3-phenylpropyl)carbamimidoyl]benzamide is Cc1ccccc1C(=O)N/C(N)=N/CCCc1ccccc1.
What is the InChIKey of 2-methyl-N-[N'-(3-phenylpropyl)carbamimidoyl]benzamide?
The InChIKey is NMNGHMHSJDMYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-14-8-5-6-12-16(14)17(22)21-18(19)20-13-7-11-15-9-3-2-4-10-15/h2-6,8-10,12H,7,11,13H2,1H3,(H3,19,20,21,22).
What are the key properties of 2-methyl-N-[N'-(3-phenylpropyl)carbamimidoyl]benzamide?
2-methyl-N-[N'-(3-phenylpropyl)carbamimidoyl]benzamide has a molecular weight of 295.39 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[N'-(3-phenylpropyl)carbamimidoyl]benzamide is sourced from PubChem (CID 22149221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).