4-(N,N-dimethylcarbamimidoyl)-N-(2-methoxy-4-methylphenyl)benzamide

C18H21N3O2 — CID 89063363

IUPAC4-(N,N-dimethylcarbamimidoyl)-N-(2-methoxy-4-methylphenyl)benzamide
SMILES[H]/N=C(/c1ccc(C(=O)Nc2ccc(C)cc2OC)cc1)N(C)C
InChIInChI=1S/C18H21N3O2/c1-12-5-10-15(16(11-12)23-4)20-18(22)14-8-6-13(7-9-14)17(19)21(2)3/h5-11,19H,1-4H3,(H,20,22)/b19-17-
InChIKeyPJGAMRDTJYEXDE-ZPHPHTNESA-N
MW311.39 g/mol
LogP3.14
Rot. Bonds4

About 4-(N,N-dimethylcarbamimidoyl)-N-(2-methoxy-4-methylphenyl)benzamide

4-(N,N-dimethylcarbamimidoyl)-N-(2-methoxy-4-methylphenyl)benzamide (PubChem CID 89063363) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 4-(N,N-dimethylcarbamimidoyl)-N-(2-methoxy-4-methylphenyl)benzamide.

Molecular Properties

Compound Name4-(N,N-dimethylcarbamimidoyl)-N-(2-methoxy-4-methylphenyl)benzamide
PubChem CID89063363
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name4-(N,N-dimethylcarbamimidoyl)-N-(2-methoxy-4-methylphenyl)benzamide
SMILES[H]/N=C(/c1ccc(C(=O)Nc2ccc(C)cc2OC)cc1)N(C)C
InChIInChI=1S/C18H21N3O2/c1-12-5-10-15(16(11-12)23-4)20-18(22)14-8-6-13(7-9-14)17(19)21(2)3/h5-11,19H,1-4H3,(H,20,22)/b19-17-
InChIKeyPJGAMRDTJYEXDE-ZPHPHTNESA-N
XLogP3.14
TPSA65.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-methylbenzamide
CID 18728123
3-bromo-4-chloro-N-(2-methoxy-4-methylphenyl)benzamide
CID 103841734
3-benzamido-N-(2-methoxy-4-methylphenyl)benzamide
CID 5082074
3-amino-N-(2-methoxy-4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 64526078
4-ethoxy-N-(2-ethoxy-4-methylphenyl)-3-methoxybenzamide
CID 87027059
4-methoxy-N-(2-methoxy-5-methylphenyl)benzamide
CID 2302629
methyl 5-[(2-methoxy-4-methylphenyl)carbamoyl]thiophene-2-carboxylate
CID 87028686
2-bromo-N-(2-methoxy-4-methylphenyl)pyridine-4-carboxamide
CID 103754736
N-[4-[4-[(3,5-dimethylbenzoyl)amino]-3-methoxyphenyl]-2-methoxyphenyl]-3,5-dimethylbenzamide
CID 4537878
4-(ethylamino)-N-(2-methoxy-5-methylphenyl)benzamide
CID 62171726
4-amino-N-(2-methoxy-4-methylphenyl)-1H-pyrrole-2-carboxamide
CID 61117898
4-bromo-2-methoxy-N-(2-methoxy-4-methylphenyl)benzamide
CID 78987785

Frequently Asked Questions

What is the IUPAC name of 4-(N,N-dimethylcarbamimidoyl)-N-(2-methoxy-4-methylphenyl)benzamide?
The IUPAC name of 4-(N,N-dimethylcarbamimidoyl)-N-(2-methoxy-4-methylphenyl)benzamide (CID 89063363) is 4-(N,N-dimethylcarbamimidoyl)-N-(2-methoxy-4-methylphenyl)benzamide.
What is the SMILES notation for 4-(N,N-dimethylcarbamimidoyl)-N-(2-methoxy-4-methylphenyl)benzamide?
The canonical SMILES for 4-(N,N-dimethylcarbamimidoyl)-N-(2-methoxy-4-methylphenyl)benzamide is [H]/N=C(/c1ccc(C(=O)Nc2ccc(C)cc2OC)cc1)N(C)C.
What is the InChIKey of 4-(N,N-dimethylcarbamimidoyl)-N-(2-methoxy-4-methylphenyl)benzamide?
The InChIKey is PJGAMRDTJYEXDE-ZPHPHTNESA-N. The full InChI is InChI=1S/C18H21N3O2/c1-12-5-10-15(16(11-12)23-4)20-18(22)14-8-6-13(7-9-14)17(19)21(2)3/h5-11,19H,1-4H3,(H,20,22)/b19-17-.
What are the key properties of 4-(N,N-dimethylcarbamimidoyl)-N-(2-methoxy-4-methylphenyl)benzamide?
4-(N,N-dimethylcarbamimidoyl)-N-(2-methoxy-4-methylphenyl)benzamide has a molecular weight of 311.39 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N,N-dimethylcarbamimidoyl)-N-(2-methoxy-4-methylphenyl)benzamide is sourced from PubChem (CID 89063363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).