3-amino-N-(3,5-dimethylphenyl)-4-propoxybenzamide

C18H22N2O2 — CID 110499834

IUPAC3-amino-N-(3,5-dimethylphenyl)-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1N
InChIInChI=1S/C18H22N2O2/c1-4-7-22-17-6-5-14(11-16(17)19)18(21)20-15-9-12(2)8-13(3)10-15/h5-6,8-11H,4,7,19H2,1-3H3,(H,20,21)
InChIKeyUEUQRPNOVVVWSP-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.93
Rot. Bonds5

About 3-amino-N-(3,5-dimethylphenyl)-4-propoxybenzamide

3-amino-N-(3,5-dimethylphenyl)-4-propoxybenzamide (PubChem CID 110499834) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 3-amino-N-(3,5-dimethylphenyl)-4-propoxybenzamide.

Molecular Properties

Compound Name3-amino-N-(3,5-dimethylphenyl)-4-propoxybenzamide
PubChem CID110499834
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name3-amino-N-(3,5-dimethylphenyl)-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1N
InChIInChI=1S/C18H22N2O2/c1-4-7-22-17-6-5-14(11-16(17)19)18(21)20-15-9-12(2)8-13(3)10-15/h5-6,8-11H,4,7,19H2,1-3H3,(H,20,21)
InChIKeyUEUQRPNOVVVWSP-UHFFFAOYSA-N
XLogP3.93
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3,5-dimethylphenyl)-3-methoxy-4-propoxybenzamide
CID 2683270
3-amino-4-propoxy-N-(2-propoxyphenyl)benzamide
CID 110499861
N-(3-amino-4-methoxyphenyl)-3,4-dipropoxybenzamide
CID 119420223
3-amino-N-(3-fluoro-4-nitrophenyl)-4-propoxybenzamide
CID 110499941
N-(3,4-dipropoxyphenyl)-3,5-dimethylbenzamide
CID 7924147
methyl 3-amino-4-propoxybenzoate
CID 43380309
3-amino-N-(2-methylpropyl)-4-propoxybenzamide
CID 82070281
3-amino-N-(2,4-dimethoxyphenyl)-4-propoxybenzamide
CID 110499819
2-[(3-amino-4-propoxybenzoyl)amino]-3-hydroxybutanoic acid
CID 110496619
2-[(3-amino-4-propoxybenzoyl)amino]butanoic acid
CID 110496617
3-amino-N-(2-chloro-3-pyridinyl)-4-propoxybenzamide
CID 110499911
3-amino-N-(2-methyl-5-nitrophenyl)-4-propoxybenzamide
CID 110499809

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3,5-dimethylphenyl)-4-propoxybenzamide?
The IUPAC name of 3-amino-N-(3,5-dimethylphenyl)-4-propoxybenzamide (CID 110499834) is 3-amino-N-(3,5-dimethylphenyl)-4-propoxybenzamide.
What is the SMILES notation for 3-amino-N-(3,5-dimethylphenyl)-4-propoxybenzamide?
The canonical SMILES for 3-amino-N-(3,5-dimethylphenyl)-4-propoxybenzamide is CCCOc1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1N.
What is the InChIKey of 3-amino-N-(3,5-dimethylphenyl)-4-propoxybenzamide?
The InChIKey is UEUQRPNOVVVWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-4-7-22-17-6-5-14(11-16(17)19)18(21)20-15-9-12(2)8-13(3)10-15/h5-6,8-11H,4,7,19H2,1-3H3,(H,20,21).
What are the key properties of 3-amino-N-(3,5-dimethylphenyl)-4-propoxybenzamide?
3-amino-N-(3,5-dimethylphenyl)-4-propoxybenzamide has a molecular weight of 298.39 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3,5-dimethylphenyl)-4-propoxybenzamide is sourced from PubChem (CID 110499834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).