2,6-dimethoxy-N-[4-[2-(propan-2-ylamino)ethylamino]phenyl]benzamide

C20H27N3O3 — CID 139887374

IUPAC2,6-dimethoxy-N-[4-[2-(propan-2-ylamino)ethylamino]phenyl]benzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1ccc(NCCNC(C)C)cc1
InChIInChI=1S/C20H27N3O3/c1-14(2)21-12-13-22-15-8-10-16(11-9-15)23-20(24)19-17(25-3)6-5-7-18(19)26-4/h5-11,14,21-22H,12-13H2,1-4H3,(H,23,24)
InChIKeyCSJMNQIITXLDID-UHFFFAOYSA-N
MW357.45 g/mol
LogP3.37
Rot. Bonds9

About 2,6-dimethoxy-N-[4-[2-(propan-2-ylamino)ethylamino]phenyl]benzamide

2,6-dimethoxy-N-[4-[2-(propan-2-ylamino)ethylamino]phenyl]benzamide (PubChem CID 139887374) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is 2,6-dimethoxy-N-[4-[2-(propan-2-ylamino)ethylamino]phenyl]benzamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-[4-[2-(propan-2-ylamino)ethylamino]phenyl]benzamide
PubChem CID139887374
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name2,6-dimethoxy-N-[4-[2-(propan-2-ylamino)ethylamino]phenyl]benzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1ccc(NCCNC(C)C)cc1
InChIInChI=1S/C20H27N3O3/c1-14(2)21-12-13-22-15-8-10-16(11-9-15)23-20(24)19-17(25-3)6-5-7-18(19)26-4/h5-11,14,21-22H,12-13H2,1-4H3,(H,23,24)
InChIKeyCSJMNQIITXLDID-UHFFFAOYSA-N
XLogP3.37
TPSA71.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(benzylamino)phenyl]-2,6-dimethoxybenzamide
CID 112981913
N-[4-(1-aminoethyl)phenyl]-2,6-dimethoxybenzamide
CID 43822918
N-(4-ethylphenyl)-2,6-dimethoxybenzamide
CID 596670
N-[4-[(2-fluorophenyl)methylamino]phenyl]-2,6-dimethoxybenzamide
CID 112982382
N-(4-iodophenyl)-2,6-dimethoxybenzamide
CID 1019212
N-(3-fluoro-4-methoxyphenyl)-2,6-dimethoxybenzamide
CID 110776470
N-(3,5-difluorophenyl)-2,6-dimethoxybenzamide
CID 2989177
N-[4-(butanoylamino)phenyl]-2,6-dimethoxybenzamide
CID 954631
N-[4-[[2-(tert-butylamino)acetyl]amino]phenyl]-2,6-dimethoxybenzamide
CID 139887384
2,6-dimethoxy-N-(4-methoxy-3-methylphenyl)benzamide
CID 110776411
N-(4-carbamoylphenyl)-2,6-dimethoxybenzamide
CID 4126051
N-[4-[(3-chlorobenzoyl)amino]phenyl]-2,6-dimethoxybenzamide
CID 22775702

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-[4-[2-(propan-2-ylamino)ethylamino]phenyl]benzamide?
The IUPAC name of 2,6-dimethoxy-N-[4-[2-(propan-2-ylamino)ethylamino]phenyl]benzamide (CID 139887374) is 2,6-dimethoxy-N-[4-[2-(propan-2-ylamino)ethylamino]phenyl]benzamide.
What is the SMILES notation for 2,6-dimethoxy-N-[4-[2-(propan-2-ylamino)ethylamino]phenyl]benzamide?
The canonical SMILES for 2,6-dimethoxy-N-[4-[2-(propan-2-ylamino)ethylamino]phenyl]benzamide is COc1cccc(OC)c1C(=O)Nc1ccc(NCCNC(C)C)cc1.
What is the InChIKey of 2,6-dimethoxy-N-[4-[2-(propan-2-ylamino)ethylamino]phenyl]benzamide?
The InChIKey is CSJMNQIITXLDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-14(2)21-12-13-22-15-8-10-16(11-9-15)23-20(24)19-17(25-3)6-5-7-18(19)26-4/h5-11,14,21-22H,12-13H2,1-4H3,(H,23,24).
What are the key properties of 2,6-dimethoxy-N-[4-[2-(propan-2-ylamino)ethylamino]phenyl]benzamide?
2,6-dimethoxy-N-[4-[2-(propan-2-ylamino)ethylamino]phenyl]benzamide has a molecular weight of 357.45 g/mol, XLogP of 3.37, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-[4-[2-(propan-2-ylamino)ethylamino]phenyl]benzamide is sourced from PubChem (CID 139887374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).