2-[N'-(3-benzamidophenyl)carbamimidoyl]-3,4,5-trimethoxybenzamide

C24H24N4O5 — CID 140659533

IUPAC2-[N'-(3-benzamidophenyl)carbamimidoyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(N)=O)c(/C(N)=N/c2cccc(NC(=O)c3ccccc3)c2)c(OC)c1OC
InChIInChI=1S/C24H24N4O5/c1-31-18-13-17(23(26)29)19(21(33-3)20(18)32-2)22(25)27-15-10-7-11-16(12-15)28-24(30)14-8-5-4-6-9-14/h4-13H,1-3H3,(H2,25,27)(H2,26,29)(H,28,30)
InChIKeySGVDHDZCHWYREG-UHFFFAOYSA-N
MW448.48 g/mol
LogP3.10
Rot. Bonds8

About 2-[N'-(3-benzamidophenyl)carbamimidoyl]-3,4,5-trimethoxybenzamide

2-[N'-(3-benzamidophenyl)carbamimidoyl]-3,4,5-trimethoxybenzamide (PubChem CID 140659533) has the molecular formula C24H24N4O5 and a molecular weight of 448.48 g/mol. Its IUPAC name is 2-[N'-(3-benzamidophenyl)carbamimidoyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound Name2-[N'-(3-benzamidophenyl)carbamimidoyl]-3,4,5-trimethoxybenzamide
PubChem CID140659533
Molecular FormulaC24H24N4O5
Molecular Weight448.48 g/mol
Exact Mass448.17
IUPAC Name2-[N'-(3-benzamidophenyl)carbamimidoyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(N)=O)c(/C(N)=N/c2cccc(NC(=O)c3ccccc3)c2)c(OC)c1OC
InChIInChI=1S/C24H24N4O5/c1-31-18-13-17(23(26)29)19(21(33-3)20(18)32-2)22(25)27-15-10-7-11-16(12-15)28-24(30)14-8-5-4-6-9-14/h4-13H,1-3H3,(H2,25,27)(H2,26,29)(H,28,30)
InChIKeySGVDHDZCHWYREG-UHFFFAOYSA-N
XLogP3.10
TPSA138.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.48
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-[3-[[amino(phenyl)methylidene]amino]phenyl]benzamide
CID 139891874
3,4,5-trimethoxy-2-[N'-[4-methyl-3-[(4-phenylmethoxybenzoyl)amino]phenyl]carbamimidoyl]benzamide;hydrochloride
CID 140650207
2-[N'-(3-indol-1-ylphenyl)carbamimidoyl]-3,4,5-trimethoxybenzamide
CID 140659546
N-(3-benzamidophenyl)-2,4,5-trimethoxybenzamide
CID 55797225
3,4,5-trimethoxy-N-[3-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide
CID 4578304
N-[(3-benzamidophenyl)carbamothioyl]-2,6-dimethoxybenzamide
CID 22780287
3,4,5-trimethoxy-N-(4-phenyldiazenylphenyl)benzamide
CID 3504342
N-(3-amino-4-methoxyphenyl)benzamide;molecular nitrogen
CID 174994775
N-[3-[[amino(phenyl)methylidene]amino]phenyl]-9H-carbazole-1-carboxamide
CID 139891858
2-amino-3,5,6-trimethoxy-1-N-phenylbenzene-1,4-dicarboxamide
CID 87396074
4-[4-[(3,4,5-trimethoxyphenyl)carbamoyl]phenoxy]benzamide
CID 56545250
N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-3,4,5-trimethoxybenzamide
CID 5167403

Frequently Asked Questions

What is the IUPAC name of 2-[N'-(3-benzamidophenyl)carbamimidoyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of 2-[N'-(3-benzamidophenyl)carbamimidoyl]-3,4,5-trimethoxybenzamide (CID 140659533) is 2-[N'-(3-benzamidophenyl)carbamimidoyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for 2-[N'-(3-benzamidophenyl)carbamimidoyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for 2-[N'-(3-benzamidophenyl)carbamimidoyl]-3,4,5-trimethoxybenzamide is COc1cc(C(N)=O)c(/C(N)=N/c2cccc(NC(=O)c3ccccc3)c2)c(OC)c1OC.
What is the InChIKey of 2-[N'-(3-benzamidophenyl)carbamimidoyl]-3,4,5-trimethoxybenzamide?
The InChIKey is SGVDHDZCHWYREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O5/c1-31-18-13-17(23(26)29)19(21(33-3)20(18)32-2)22(25)27-15-10-7-11-16(12-15)28-24(30)14-8-5-4-6-9-14/h4-13H,1-3H3,(H2,25,27)(H2,26,29)(H,28,30).
What are the key properties of 2-[N'-(3-benzamidophenyl)carbamimidoyl]-3,4,5-trimethoxybenzamide?
2-[N'-(3-benzamidophenyl)carbamimidoyl]-3,4,5-trimethoxybenzamide has a molecular weight of 448.48 g/mol, XLogP of 3.10, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N'-(3-benzamidophenyl)carbamimidoyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 140659533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).