N-(4-aminophenyl)-2,3-dimethoxy-N-methylbenzamide

C16H18N2O3 — CID 28894012

IUPACN-(4-aminophenyl)-2,3-dimethoxy-N-methylbenzamide
SMILESCOc1cccc(C(=O)N(C)c2ccc(N)cc2)c1OC
InChIInChI=1S/C16H18N2O3/c1-18(12-9-7-11(17)8-10-12)16(19)13-5-4-6-14(20-2)15(13)21-3/h4-10H,17H2,1-3H3
InChIKeyHOTWCPYRUQJMOE-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.56
Rot. Bonds4

About N-(4-aminophenyl)-2,3-dimethoxy-N-methylbenzamide

N-(4-aminophenyl)-2,3-dimethoxy-N-methylbenzamide (PubChem CID 28894012) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-(4-aminophenyl)-2,3-dimethoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-2,3-dimethoxy-N-methylbenzamide
PubChem CID28894012
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-(4-aminophenyl)-2,3-dimethoxy-N-methylbenzamide
SMILESCOc1cccc(C(=O)N(C)c2ccc(N)cc2)c1OC
InChIInChI=1S/C16H18N2O3/c1-18(12-9-7-11(17)8-10-12)16(19)13-5-4-6-14(20-2)15(13)21-3/h4-10H,17H2,1-3H3
InChIKeyHOTWCPYRUQJMOE-UHFFFAOYSA-N
XLogP2.56
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2,3,4-trimethoxy-N-methyl-N-phenylbenzamide
CID 51161127
2,3-dimethoxybenzamide;hydrate
CID 141005510
N-butyl-2,3-dimethoxy-N-methylbenzamide
CID 78796146
N-(1-bromopropan-2-yl)-2,3-dimethoxy-N-methylbenzamide
CID 113426448
N-(1-amino-1-hydroxyiminopropan-2-yl)-2,3-dimethoxy-N-methylbenzamide
CID 76928376
2,3-dimethoxybenzoic acid;platinum;hydrate
CID 174478854
(2,3-dimethoxyphenyl)-(2-methoxyphenyl)methanone
CID 67592746
N-[(3-hydroxypyrrolidin-3-yl)methyl]-2,3-dimethoxy-N-methylbenzamide
CID 114760377
N-(5-bromopentyl)-2,3-dimethoxy-N-methylbenzamide
CID 107206269
N-(4-amino-2-methylphenyl)-2,3-dimethoxybenzamide
CID 24691830
[3-(2,3-dimethoxybenzoyl)oxy-2-oxopropyl] 2,3-dimethoxybenzoate
CID 3910896
2,6-dimethoxy-N-methyl-N-[4-[methyl(methylsulfonyl)amino]phenyl]benzamide
CID 113094497

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-2,3-dimethoxy-N-methylbenzamide?
The IUPAC name of N-(4-aminophenyl)-2,3-dimethoxy-N-methylbenzamide (CID 28894012) is N-(4-aminophenyl)-2,3-dimethoxy-N-methylbenzamide.
What is the SMILES notation for N-(4-aminophenyl)-2,3-dimethoxy-N-methylbenzamide?
The canonical SMILES for N-(4-aminophenyl)-2,3-dimethoxy-N-methylbenzamide is COc1cccc(C(=O)N(C)c2ccc(N)cc2)c1OC.
What is the InChIKey of N-(4-aminophenyl)-2,3-dimethoxy-N-methylbenzamide?
The InChIKey is HOTWCPYRUQJMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-18(12-9-7-11(17)8-10-12)16(19)13-5-4-6-14(20-2)15(13)21-3/h4-10H,17H2,1-3H3.
What are the key properties of N-(4-aminophenyl)-2,3-dimethoxy-N-methylbenzamide?
N-(4-aminophenyl)-2,3-dimethoxy-N-methylbenzamide has a molecular weight of 286.33 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-2,3-dimethoxy-N-methylbenzamide is sourced from PubChem (CID 28894012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).