N-(3-amino-4-methoxyphenyl)-3,4-dipropoxybenzamide

C20H26N2O4 — CID 119420223

IUPACN-(3-amino-4-methoxyphenyl)-3,4-dipropoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2ccc(OC)c(N)c2)cc1OCCC
InChIInChI=1S/C20H26N2O4/c1-4-10-25-18-8-6-14(12-19(18)26-11-5-2)20(23)22-15-7-9-17(24-3)16(21)13-15/h6-9,12-13H,4-5,10-11,21H2,1-3H3,(H,22,23)
InChIKeyIMLXLPHQDDPBPS-UHFFFAOYSA-N
MW358.44 g/mol
LogP4.11
Rot. Bonds9

About N-(3-amino-4-methoxyphenyl)-3,4-dipropoxybenzamide

N-(3-amino-4-methoxyphenyl)-3,4-dipropoxybenzamide (PubChem CID 119420223) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-(3-amino-4-methoxyphenyl)-3,4-dipropoxybenzamide.

Molecular Properties

Compound NameN-(3-amino-4-methoxyphenyl)-3,4-dipropoxybenzamide
PubChem CID119420223
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC NameN-(3-amino-4-methoxyphenyl)-3,4-dipropoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2ccc(OC)c(N)c2)cc1OCCC
InChIInChI=1S/C20H26N2O4/c1-4-10-25-18-8-6-14(12-19(18)26-11-5-2)20(23)22-15-7-9-17(24-3)16(21)13-15/h6-9,12-13H,4-5,10-11,21H2,1-3H3,(H,22,23)
InChIKeyIMLXLPHQDDPBPS-UHFFFAOYSA-N
XLogP4.11
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.11
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

N-(3-amino-4-methoxyphenyl)-4-hexadecoxybenzamide
CID 70436318
N-(3-amino-4-methoxyphenyl)-4-ethylbenzamide
CID 43599944
N-(3-amino-4-methoxyphenyl)-3-butoxybenzamide
CID 50878655
3-amino-N-(3,4-dipropoxyphenyl)benzamide
CID 119679445
N-(3,5-dimethylphenyl)-3-methoxy-4-propoxybenzamide
CID 2683270
N-[4-(hydroxycarbamoyl)phenyl]-3,4-dipropoxybenzamide
CID 141154638
N-(3-amino-4-methoxyphenyl)-4-hydroxybenzamide
CID 43599919
3-amino-N-(3,5-dimethylphenyl)-4-propoxybenzamide
CID 110499834
4-(aminomethyl)-N-(3,4-dipropoxyphenyl)benzamide
CID 119265999
N-(3-amino-4-methoxyphenyl)-3,5-dibromobenzamide
CID 107971090
N-(3-amino-4-methoxyphenyl)-4-tert-butylbenzamide
CID 18524942
N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3,4-dipropoxybenzamide
CID 55657151

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxyphenyl)-3,4-dipropoxybenzamide?
The IUPAC name of N-(3-amino-4-methoxyphenyl)-3,4-dipropoxybenzamide (CID 119420223) is N-(3-amino-4-methoxyphenyl)-3,4-dipropoxybenzamide.
What is the SMILES notation for N-(3-amino-4-methoxyphenyl)-3,4-dipropoxybenzamide?
The canonical SMILES for N-(3-amino-4-methoxyphenyl)-3,4-dipropoxybenzamide is CCCOc1ccc(C(=O)Nc2ccc(OC)c(N)c2)cc1OCCC.
What is the InChIKey of N-(3-amino-4-methoxyphenyl)-3,4-dipropoxybenzamide?
The InChIKey is IMLXLPHQDDPBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-4-10-25-18-8-6-14(12-19(18)26-11-5-2)20(23)22-15-7-9-17(24-3)16(21)13-15/h6-9,12-13H,4-5,10-11,21H2,1-3H3,(H,22,23).
What are the key properties of N-(3-amino-4-methoxyphenyl)-3,4-dipropoxybenzamide?
N-(3-amino-4-methoxyphenyl)-3,4-dipropoxybenzamide has a molecular weight of 358.44 g/mol, XLogP of 4.11, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methoxyphenyl)-3,4-dipropoxybenzamide is sourced from PubChem (CID 119420223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).