3-amino-N-(2,4-dimethoxyphenyl)-4-propoxybenzamide

C18H22N2O4 — CID 110499819

IUPAC3-amino-N-(2,4-dimethoxyphenyl)-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2ccc(OC)cc2OC)cc1N
InChIInChI=1S/C18H22N2O4/c1-4-9-24-16-8-5-12(10-14(16)19)18(21)20-15-7-6-13(22-2)11-17(15)23-3/h5-8,10-11H,4,9,19H2,1-3H3,(H,20,21)
InChIKeyKTCJXKBBVHNQLC-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.33
Rot. Bonds7

About 3-amino-N-(2,4-dimethoxyphenyl)-4-propoxybenzamide

3-amino-N-(2,4-dimethoxyphenyl)-4-propoxybenzamide (PubChem CID 110499819) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 3-amino-N-(2,4-dimethoxyphenyl)-4-propoxybenzamide.

Molecular Properties

Compound Name3-amino-N-(2,4-dimethoxyphenyl)-4-propoxybenzamide
PubChem CID110499819
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name3-amino-N-(2,4-dimethoxyphenyl)-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2ccc(OC)cc2OC)cc1N
InChIInChI=1S/C18H22N2O4/c1-4-9-24-16-8-5-12(10-14(16)19)18(21)20-15-7-6-13(22-2)11-17(15)23-3/h5-8,10-11H,4,9,19H2,1-3H3,(H,20,21)
InChIKeyKTCJXKBBVHNQLC-UHFFFAOYSA-N
XLogP3.33
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-propoxy-N-(2-propoxyphenyl)benzamide
CID 110499861
N-(2-amino-5-methoxyphenyl)-4-butoxy-3-methoxybenzamide;hydrochloride
CID 119421240
4-amino-N-(2,4-dimethoxyphenyl)benzamide
CID 8566750
N-(2-amino-5-methoxyphenyl)-4-butoxy-3-ethoxybenzamide
CID 119421219
N-(3-amino-4-methoxyphenyl)-3,4-dipropoxybenzamide
CID 119420223
3-acetamido-N-(2,4-dimethoxyphenyl)-4-methoxybenzamide
CID 110764309
4-butoxy-3-methoxy-N-(2-propoxyphenyl)benzamide
CID 26897955
3-amino-N-(3,5-dimethylphenyl)-4-propoxybenzamide
CID 110499834
methyl 3-amino-4-propoxybenzoate
CID 43380309
3-amino-N-(2-chloro-3-pyridinyl)-4-propoxybenzamide
CID 110499911
N-(2,4-dimethoxyphenyl)-1,3-dioxo-2-propylisoindole-5-carboxamide
CID 17171775
N-(2,4-dimethoxyphenyl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 46577798

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,4-dimethoxyphenyl)-4-propoxybenzamide?
The IUPAC name of 3-amino-N-(2,4-dimethoxyphenyl)-4-propoxybenzamide (CID 110499819) is 3-amino-N-(2,4-dimethoxyphenyl)-4-propoxybenzamide.
What is the SMILES notation for 3-amino-N-(2,4-dimethoxyphenyl)-4-propoxybenzamide?
The canonical SMILES for 3-amino-N-(2,4-dimethoxyphenyl)-4-propoxybenzamide is CCCOc1ccc(C(=O)Nc2ccc(OC)cc2OC)cc1N.
What is the InChIKey of 3-amino-N-(2,4-dimethoxyphenyl)-4-propoxybenzamide?
The InChIKey is KTCJXKBBVHNQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-4-9-24-16-8-5-12(10-14(16)19)18(21)20-15-7-6-13(22-2)11-17(15)23-3/h5-8,10-11H,4,9,19H2,1-3H3,(H,20,21).
What are the key properties of 3-amino-N-(2,4-dimethoxyphenyl)-4-propoxybenzamide?
3-amino-N-(2,4-dimethoxyphenyl)-4-propoxybenzamide has a molecular weight of 330.38 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,4-dimethoxyphenyl)-4-propoxybenzamide is sourced from PubChem (CID 110499819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).