N-(5-amino-2-methylphenyl)-3,5-dimethoxybenzamide

C16H18N2O3 — CID 16778250

IUPACN-(5-amino-2-methylphenyl)-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2cc(N)ccc2C)c1
InChIInChI=1S/C16H18N2O3/c1-10-4-5-12(17)8-15(10)18-16(19)11-6-13(20-2)9-14(7-11)21-3/h4-9H,17H2,1-3H3,(H,18,19)
InChIKeyJVPCNENJPGRDKV-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.85
Rot. Bonds4

About N-(5-amino-2-methylphenyl)-3,5-dimethoxybenzamide

N-(5-amino-2-methylphenyl)-3,5-dimethoxybenzamide (PubChem CID 16778250) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-3,5-dimethoxybenzamide
PubChem CID16778250
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-(5-amino-2-methylphenyl)-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2cc(N)ccc2C)c1
InChIInChI=1S/C16H18N2O3/c1-10-4-5-12(17)8-15(10)18-16(19)11-6-13(20-2)9-14(7-11)21-3/h4-9H,17H2,1-3H3,(H,18,19)
InChIKeyJVPCNENJPGRDKV-UHFFFAOYSA-N
XLogP2.85
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[(3,5-dimethoxybenzoyl)amino]-4-methylbenzoate
CID 967197
N-(4-amino-2-bromophenyl)-3,5-dimethoxybenzamide
CID 43549583
N-(5-amino-2-methylphenyl)-4-hydroxybenzamide
CID 22291140
N-(3-amino-4-methylphenyl)-3,5-dimethoxybenzamide
CID 24709261
N-(5-amino-2-methylphenyl)-4-phenoxybenzamide
CID 57326481
N-(5-amino-2-methylphenyl)-3-(3,5-dimethoxyphenyl)propanamide;hydrochloride
CID 120568459
N-(4-iodo-2,5-dimethylphenyl)-3,5-dimethoxybenzamide
CID 2206635
N-(5-amino-2-methylphenyl)naphthalene-2-carboxamide
CID 16773401
N-(5-amino-2-methylphenyl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide
CID 120568265
N-(5-amino-2-methylphenyl)-3,4,5-triethoxybenzamide;hydrochloride
CID 120569013
N-(5-amino-2-methylphenyl)pyridazine-4-carboxamide
CID 104669036
N-(5-amino-2-methylphenyl)thiophene-3-carboxamide
CID 16775511

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-3,5-dimethoxybenzamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-3,5-dimethoxybenzamide (CID 16778250) is N-(5-amino-2-methylphenyl)-3,5-dimethoxybenzamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-3,5-dimethoxybenzamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)Nc2cc(N)ccc2C)c1.
What is the InChIKey of N-(5-amino-2-methylphenyl)-3,5-dimethoxybenzamide?
The InChIKey is JVPCNENJPGRDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-10-4-5-12(17)8-15(10)18-16(19)11-6-13(20-2)9-14(7-11)21-3/h4-9H,17H2,1-3H3,(H,18,19).
What are the key properties of N-(5-amino-2-methylphenyl)-3,5-dimethoxybenzamide?
N-(5-amino-2-methylphenyl)-3,5-dimethoxybenzamide has a molecular weight of 286.33 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)-3,5-dimethoxybenzamide is sourced from PubChem (CID 16778250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).