3-amino-N-[3-(dimethylamino)phenyl]-4-methoxybenzamide

C16H19N3O2 — CID 115375762

IUPAC3-amino-N-[3-(dimethylamino)phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cccc(N(C)C)c2)cc1N
InChIInChI=1S/C16H19N3O2/c1-19(2)13-6-4-5-12(10-13)18-16(20)11-7-8-15(21-3)14(17)9-11/h4-10H,17H2,1-3H3,(H,18,20)
InChIKeyXINJMSIPBODAPR-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.60
Rot. Bonds4

About 3-amino-N-[3-(dimethylamino)phenyl]-4-methoxybenzamide

3-amino-N-[3-(dimethylamino)phenyl]-4-methoxybenzamide (PubChem CID 115375762) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 3-amino-N-[3-(dimethylamino)phenyl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-amino-N-[3-(dimethylamino)phenyl]-4-methoxybenzamide
PubChem CID115375762
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name3-amino-N-[3-(dimethylamino)phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cccc(N(C)C)c2)cc1N
InChIInChI=1S/C16H19N3O2/c1-19(2)13-6-4-5-12(10-13)18-16(20)11-7-8-15(21-3)14(17)9-11/h4-10H,17H2,1-3H3,(H,18,20)
InChIKeyXINJMSIPBODAPR-UHFFFAOYSA-N
XLogP2.60
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_I(4)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-methoxy-N-(3-methoxyphenyl)benzamide
CID 16785828
3-amino-N-[3-(dimethylamino)phenyl]-4-fluorobenzamide
CID 110488278
3-(dimethylamino)-N-(4-methoxy-3-methylphenyl)benzamide
CID 87032363
3-amino-N-[3-(dimethylamino)phenyl]-5-methoxybenzamide
CID 115375718
3-amino-N-(4-chloro-3-methoxyphenyl)-4-methoxybenzamide
CID 107620662
N-(3-amino-4-methoxyphenyl)-3-fluorobenzamide
CID 28866814
N-(3-amino-4-methoxyphenyl)-3-iodobenzamide
CID 43599948
4-chloro-N-[3-(dimethylamino)phenyl]benzamide
CID 2310755
3-amino-4-methoxy-N-pyrimidin-5-ylbenzamide
CID 107587350
N-[2-(aminomethyl)-5-[[3-(dimethylamino)benzoyl]amino]phenyl]-3,4-dimethoxybenzamide
CID 151119860
N-(3-amino-4-methoxyphenyl)-4-hydroxybenzamide
CID 43599919
N-(3-aminophenyl)-3-hydroxy-4-methoxybenzamide
CID 79726483

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(dimethylamino)phenyl]-4-methoxybenzamide?
The IUPAC name of 3-amino-N-[3-(dimethylamino)phenyl]-4-methoxybenzamide (CID 115375762) is 3-amino-N-[3-(dimethylamino)phenyl]-4-methoxybenzamide.
What is the SMILES notation for 3-amino-N-[3-(dimethylamino)phenyl]-4-methoxybenzamide?
The canonical SMILES for 3-amino-N-[3-(dimethylamino)phenyl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2cccc(N(C)C)c2)cc1N.
What is the InChIKey of 3-amino-N-[3-(dimethylamino)phenyl]-4-methoxybenzamide?
The InChIKey is XINJMSIPBODAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-19(2)13-6-4-5-12(10-13)18-16(20)11-7-8-15(21-3)14(17)9-11/h4-10H,17H2,1-3H3,(H,18,20).
What are the key properties of 3-amino-N-[3-(dimethylamino)phenyl]-4-methoxybenzamide?
3-amino-N-[3-(dimethylamino)phenyl]-4-methoxybenzamide has a molecular weight of 285.35 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(dimethylamino)phenyl]-4-methoxybenzamide is sourced from PubChem (CID 115375762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).