N-[(3-methoxy-4-propoxyphenyl)methyl]-3-(propanoylamino)-N-propylbenzamide

C24H32N2O4 — CID 55874316

IUPACN-[(3-methoxy-4-propoxyphenyl)methyl]-3-(propanoylamino)-N-propylbenzamide
SMILESCCCOc1ccc(CN(CCC)C(=O)c2cccc(NC(=O)CC)c2)cc1OC
InChIInChI=1S/C24H32N2O4/c1-5-13-26(17-18-11-12-21(30-14-6-2)22(15-18)29-4)24(28)19-9-8-10-20(16-19)25-23(27)7-3/h8-12,15-16H,5-7,13-14,17H2,1-4H3,(H,25,27)
InChIKeyMJGGNARQNCCKTD-UHFFFAOYSA-N
MW412.53 g/mol
LogP4.88
Rot. Bonds11

About N-[(3-methoxy-4-propoxyphenyl)methyl]-3-(propanoylamino)-N-propylbenzamide

N-[(3-methoxy-4-propoxyphenyl)methyl]-3-(propanoylamino)-N-propylbenzamide (PubChem CID 55874316) has the molecular formula C24H32N2O4 and a molecular weight of 412.53 g/mol. Its IUPAC name is N-[(3-methoxy-4-propoxyphenyl)methyl]-3-(propanoylamino)-N-propylbenzamide.

Molecular Properties

Compound NameN-[(3-methoxy-4-propoxyphenyl)methyl]-3-(propanoylamino)-N-propylbenzamide
PubChem CID55874316
Molecular FormulaC24H32N2O4
Molecular Weight412.53 g/mol
Exact Mass412.24
IUPAC NameN-[(3-methoxy-4-propoxyphenyl)methyl]-3-(propanoylamino)-N-propylbenzamide
SMILESCCCOc1ccc(CN(CCC)C(=O)c2cccc(NC(=O)CC)c2)cc1OC
InChIInChI=1S/C24H32N2O4/c1-5-13-26(17-18-11-12-21(30-14-6-2)22(15-18)29-4)24(28)19-9-8-10-20(16-19)25-23(27)7-3/h8-12,15-16H,5-7,13-14,17H2,1-4H3,(H,25,27)
InChIKeyMJGGNARQNCCKTD-UHFFFAOYSA-N
XLogP4.88
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methoxy-4-propoxyphenyl)methyl]-2-methyl-1,3-dioxo-N-propylisoindole-5-carboxamide
CID 55332708
2-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide
CID 55332838
2-(4-acetyl-2-methoxyphenoxy)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide
CID 55332598
N-benzyl-N-(2-hydroxyethyl)-3-(propanoylamino)benzamide
CID 46988992
2-amino-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide;hydrochloride
CID 119268681
2-(2-ethoxyphenoxy)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide
CID 55332541
2-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(3-acetylphenyl)acetamide
CID 113165639
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-(4-thiophen-2-ylbutanoylamino)benzamide
CID 55967288
N-benzyl-N-ethyl-3-(propanoylamino)benzamide
CID 17309573
2-(3-methoxy-4-methylphenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide
CID 55455967
(2S)-2-amino-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylbutanamide
CID 119268690
N-[(3-methoxy-4-propoxyphenyl)methyl]-4-(2-oxopyrrolidin-1-yl)-N-propylbenzamide
CID 55332539

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-4-propoxyphenyl)methyl]-3-(propanoylamino)-N-propylbenzamide?
The IUPAC name of N-[(3-methoxy-4-propoxyphenyl)methyl]-3-(propanoylamino)-N-propylbenzamide (CID 55874316) is N-[(3-methoxy-4-propoxyphenyl)methyl]-3-(propanoylamino)-N-propylbenzamide.
What is the SMILES notation for N-[(3-methoxy-4-propoxyphenyl)methyl]-3-(propanoylamino)-N-propylbenzamide?
The canonical SMILES for N-[(3-methoxy-4-propoxyphenyl)methyl]-3-(propanoylamino)-N-propylbenzamide is CCCOc1ccc(CN(CCC)C(=O)c2cccc(NC(=O)CC)c2)cc1OC.
What is the InChIKey of N-[(3-methoxy-4-propoxyphenyl)methyl]-3-(propanoylamino)-N-propylbenzamide?
The InChIKey is MJGGNARQNCCKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O4/c1-5-13-26(17-18-11-12-21(30-14-6-2)22(15-18)29-4)24(28)19-9-8-10-20(16-19)25-23(27)7-3/h8-12,15-16H,5-7,13-14,17H2,1-4H3,(H,25,27).
What are the key properties of N-[(3-methoxy-4-propoxyphenyl)methyl]-3-(propanoylamino)-N-propylbenzamide?
N-[(3-methoxy-4-propoxyphenyl)methyl]-3-(propanoylamino)-N-propylbenzamide has a molecular weight of 412.53 g/mol, XLogP of 4.88, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-4-propoxyphenyl)methyl]-3-(propanoylamino)-N-propylbenzamide is sourced from PubChem (CID 55874316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).