3,4,5-trimethoxy-N-[N'-(2-propan-2-ylphenyl)carbamimidoyl]benzamide

C20H25N3O4 — CID 135568518

IUPAC3,4,5-trimethoxy-N-[N'-(2-propan-2-ylphenyl)carbamimidoyl]benzamide
SMILESCOc1cc(C(=O)N/C(N)=N/c2ccccc2C(C)C)cc(OC)c1OC
InChIInChI=1S/C20H25N3O4/c1-12(2)14-8-6-7-9-15(14)22-20(21)23-19(24)13-10-16(25-3)18(27-5)17(11-13)26-4/h6-12H,1-5H3,(H3,21,22,23,24)
InChIKeyLPWCERVUTKZPMV-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.21
Rot. Bonds6

About 3,4,5-trimethoxy-N-[N'-(2-propan-2-ylphenyl)carbamimidoyl]benzamide

3,4,5-trimethoxy-N-[N'-(2-propan-2-ylphenyl)carbamimidoyl]benzamide (PubChem CID 135568518) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[N'-(2-propan-2-ylphenyl)carbamimidoyl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[N'-(2-propan-2-ylphenyl)carbamimidoyl]benzamide
PubChem CID135568518
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Name3,4,5-trimethoxy-N-[N'-(2-propan-2-ylphenyl)carbamimidoyl]benzamide
SMILESCOc1cc(C(=O)N/C(N)=N/c2ccccc2C(C)C)cc(OC)c1OC
InChIInChI=1S/C20H25N3O4/c1-12(2)14-8-6-7-9-15(14)22-20(21)23-19(24)13-10-16(25-3)18(27-5)17(11-13)26-4/h6-12H,1-5H3,(H3,21,22,23,24)
InChIKeyLPWCERVUTKZPMV-UHFFFAOYSA-N
XLogP3.21
TPSA95.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(carbamoylcarbamothioyl)-3,4,5-trimethoxybenzamide
CID 2796467
N-(2-butan-2-ylphenyl)-3,4,5-trimethoxybenzamide
CID 11841254
3,4,5-trimethoxy-N-[2-[[2-[(3,4,5-trimethoxybenzoyl)amino]phenyl]disulfanyl]phenyl]benzamide
CID 4001036
N-[N'-(3-hydroxy-4-methoxyphenyl)carbamimidoyl]benzamide
CID 142011793
3,4,5-trimethoxy-N-sulfanylbenzamide
CID 59695341
3,4,5-trimethoxy-N-(methylcarbamoyl)benzamide
CID 121012209
3,4,5-trimethoxy-N-[N'-[4-methyl-3-[(4-phenylmethoxybenzoyl)amino]phenyl]carbamimidoyl]benzamide;hydrochloride
CID 136510943
3-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]benzamide
CID 43056910
3,4,5-trimethoxy-N-[(2-nitrophenyl)carbamothioyl]benzamide
CID 2896473
N-[(2S)-2-amino-4-methylpentanoyl]-4-methoxynaphthalene-2-carboxamide
CID 18603775
N-[(9,10-dioxoanthracen-2-yl)carbamothioyl]-3,4,5-trimethoxybenzamide
CID 3737326
3,4,5-trimethoxy-N-[(2R)-1-phenylpropan-2-yl]benzamide
CID 888468

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[N'-(2-propan-2-ylphenyl)carbamimidoyl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[N'-(2-propan-2-ylphenyl)carbamimidoyl]benzamide (CID 135568518) is 3,4,5-trimethoxy-N-[N'-(2-propan-2-ylphenyl)carbamimidoyl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[N'-(2-propan-2-ylphenyl)carbamimidoyl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[N'-(2-propan-2-ylphenyl)carbamimidoyl]benzamide is COc1cc(C(=O)N/C(N)=N/c2ccccc2C(C)C)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[N'-(2-propan-2-ylphenyl)carbamimidoyl]benzamide?
The InChIKey is LPWCERVUTKZPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-12(2)14-8-6-7-9-15(14)22-20(21)23-19(24)13-10-16(25-3)18(27-5)17(11-13)26-4/h6-12H,1-5H3,(H3,21,22,23,24).
What are the key properties of 3,4,5-trimethoxy-N-[N'-(2-propan-2-ylphenyl)carbamimidoyl]benzamide?
3,4,5-trimethoxy-N-[N'-(2-propan-2-ylphenyl)carbamimidoyl]benzamide has a molecular weight of 371.44 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[N'-(2-propan-2-ylphenyl)carbamimidoyl]benzamide is sourced from PubChem (CID 135568518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).