N-(N'-butyl-N-phenylcarbamimidoyl)-3-methoxybenzamide

C19H23N3O2 — CID 11438762

IUPACN-(N'-butyl-N-phenylcarbamimidoyl)-3-methoxybenzamide
SMILESCCCC/N=C(\NC(=O)c1cccc(OC)c1)Nc1ccccc1
InChIInChI=1S/C19H23N3O2/c1-3-4-13-20-19(21-16-10-6-5-7-11-16)22-18(23)15-9-8-12-17(14-15)24-2/h5-12,14H,3-4,13H2,1-2H3,(H2,20,21,22,23)
InChIKeyIWTVDYHKQPRIOD-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.69
Rot. Bonds6

About N-(N'-butyl-N-phenylcarbamimidoyl)-3-methoxybenzamide

N-(N'-butyl-N-phenylcarbamimidoyl)-3-methoxybenzamide (PubChem CID 11438762) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-(N'-butyl-N-phenylcarbamimidoyl)-3-methoxybenzamide.

Molecular Properties

Compound NameN-(N'-butyl-N-phenylcarbamimidoyl)-3-methoxybenzamide
PubChem CID11438762
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN-(N'-butyl-N-phenylcarbamimidoyl)-3-methoxybenzamide
SMILESCCCC/N=C(\NC(=O)c1cccc(OC)c1)Nc1ccccc1
InChIInChI=1S/C19H23N3O2/c1-3-4-13-20-19(21-16-10-6-5-7-11-16)22-18(23)15-9-8-12-17(14-15)24-2/h5-12,14H,3-4,13H2,1-2H3,(H2,20,21,22,23)
InChIKeyIWTVDYHKQPRIOD-UHFFFAOYSA-N
XLogP3.69
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[N-(4-bromophenyl)-N'-butylcarbamimidoyl]benzamide
CID 139243346
3-methoxy-N-[N-phenyl-N'-(pyridin-2-ylmethyl)carbamimidoyl]benzamide
CID 50818075
3-methoxy-N-[N-phenyl-N'-(pyridin-3-ylmethyl)carbamimidoyl]benzamide
CID 50818521
N-[N-(4-ethylphenyl)-N'-(pyridin-2-ylmethyl)carbamimidoyl]-3-methoxybenzamide
CID 50818276
3-methoxy-N-[N-(4-methoxyphenyl)-N'-(pyridin-3-ylmethyl)carbamimidoyl]benzamide
CID 50817379
N-[2-[(N'-butylcarbamimidoyl)amino]ethyl]-3-methoxybenzamide
CID 111043016
3-butoxy-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 4958264
N-(4-butoxyphenyl)-3-(2-phenoxyethoxy)benzamide
CID 4955059
N-[(4-heptoxyphenyl)carbamothioyl]-3-(2-phenoxyethoxy)benzamide
CID 4955369
3-methoxy-N-[N-(3-methylphenyl)-N'-(pyridin-4-ylmethyl)carbamimidoyl]benzamide
CID 50773127
3-methoxy-N-[4-(propylamino)phenyl]benzamide
CID 112979702
3-methoxy-N-octadecanoylbenzamide
CID 142668969

Frequently Asked Questions

What is the IUPAC name of N-(N'-butyl-N-phenylcarbamimidoyl)-3-methoxybenzamide?
The IUPAC name of N-(N'-butyl-N-phenylcarbamimidoyl)-3-methoxybenzamide (CID 11438762) is N-(N'-butyl-N-phenylcarbamimidoyl)-3-methoxybenzamide.
What is the SMILES notation for N-(N'-butyl-N-phenylcarbamimidoyl)-3-methoxybenzamide?
The canonical SMILES for N-(N'-butyl-N-phenylcarbamimidoyl)-3-methoxybenzamide is CCCC/N=C(\NC(=O)c1cccc(OC)c1)Nc1ccccc1.
What is the InChIKey of N-(N'-butyl-N-phenylcarbamimidoyl)-3-methoxybenzamide?
The InChIKey is IWTVDYHKQPRIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-3-4-13-20-19(21-16-10-6-5-7-11-16)22-18(23)15-9-8-12-17(14-15)24-2/h5-12,14H,3-4,13H2,1-2H3,(H2,20,21,22,23).
What are the key properties of N-(N'-butyl-N-phenylcarbamimidoyl)-3-methoxybenzamide?
N-(N'-butyl-N-phenylcarbamimidoyl)-3-methoxybenzamide has a molecular weight of 325.41 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(N'-butyl-N-phenylcarbamimidoyl)-3-methoxybenzamide is sourced from PubChem (CID 11438762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).