2-[(3,4-dimethoxyphenyl)methylamino]-N-phenylbenzamide

C22H22N2O3 — CID 15008953

IUPAC2-[(3,4-dimethoxyphenyl)methylamino]-N-phenylbenzamide
SMILESCOc1ccc(CNc2ccccc2C(=O)Nc2ccccc2)cc1OC
InChIInChI=1S/C22H22N2O3/c1-26-20-13-12-16(14-21(20)27-2)15-23-19-11-7-6-10-18(19)22(25)24-17-8-4-3-5-9-17/h3-14,23H,15H2,1-2H3,(H,24,25)
InChIKeyLGQUKXZWXMRMLZ-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.57
Rot. Bonds7

About 2-[(3,4-dimethoxyphenyl)methylamino]-N-phenylbenzamide

2-[(3,4-dimethoxyphenyl)methylamino]-N-phenylbenzamide (PubChem CID 15008953) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-[(3,4-dimethoxyphenyl)methylamino]-N-phenylbenzamide.

Molecular Properties

Compound Name2-[(3,4-dimethoxyphenyl)methylamino]-N-phenylbenzamide
PubChem CID15008953
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Name2-[(3,4-dimethoxyphenyl)methylamino]-N-phenylbenzamide
SMILESCOc1ccc(CNc2ccccc2C(=O)Nc2ccccc2)cc1OC
InChIInChI=1S/C22H22N2O3/c1-26-20-13-12-16(14-21(20)27-2)15-23-19-11-7-6-10-18(19)22(25)24-17-8-4-3-5-9-17/h3-14,23H,15H2,1-2H3,(H,24,25)
InChIKeyLGQUKXZWXMRMLZ-UHFFFAOYSA-N
XLogP4.57
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(3,4-dimethoxyphenyl)methylamino]-N-phenylpyridazine-3-carboxamide
CID 109123429
2-[[2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetyl]amino]-N-phenylbenzamide
CID 2657576
2-[(3-bromo-4-methoxyphenyl)methylamino]benzoic acid
CID 43774574
2-[2-[(3,4-dimethoxyphenyl)methylamino]phenyl]-2-methylpropanoic acid
CID 110452270
2-anilino-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 27232143
2-[4-(anilinomethyl)-2-methoxyphenoxy]acetamide
CID 961527
N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-anilinobenzamide
CID 55843901
2-[(3-chloro-2-hydroxypropyl)amino]-N-(3,4-dimethoxyphenyl)benzamide
CID 168640663
N-[4-(benzylamino)phenyl]-2-methoxybenzamide
CID 112981909
N-benzyl-2-[[2-(3,4-dimethoxyanilino)-2-oxoethyl]amino]benzamide
CID 2532138
2-[2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethoxy]-N-phenylbenzamide
CID 27876771
2-[4-(anilinomethyl)-2-methoxyphenoxy]-N-(4-fluorophenyl)acetamide
CID 3917191

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethoxyphenyl)methylamino]-N-phenylbenzamide?
The IUPAC name of 2-[(3,4-dimethoxyphenyl)methylamino]-N-phenylbenzamide (CID 15008953) is 2-[(3,4-dimethoxyphenyl)methylamino]-N-phenylbenzamide.
What is the SMILES notation for 2-[(3,4-dimethoxyphenyl)methylamino]-N-phenylbenzamide?
The canonical SMILES for 2-[(3,4-dimethoxyphenyl)methylamino]-N-phenylbenzamide is COc1ccc(CNc2ccccc2C(=O)Nc2ccccc2)cc1OC.
What is the InChIKey of 2-[(3,4-dimethoxyphenyl)methylamino]-N-phenylbenzamide?
The InChIKey is LGQUKXZWXMRMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-26-20-13-12-16(14-21(20)27-2)15-23-19-11-7-6-10-18(19)22(25)24-17-8-4-3-5-9-17/h3-14,23H,15H2,1-2H3,(H,24,25).
What are the key properties of 2-[(3,4-dimethoxyphenyl)methylamino]-N-phenylbenzamide?
2-[(3,4-dimethoxyphenyl)methylamino]-N-phenylbenzamide has a molecular weight of 362.43 g/mol, XLogP of 4.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethoxyphenyl)methylamino]-N-phenylbenzamide is sourced from PubChem (CID 15008953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).