N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-3-ethoxy-N-methyl-4-propoxybenzamide

C24H30N2O4 — CID 38398843

IUPACN-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-3-ethoxy-N-methyl-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)N(C)Cc2ccc(C(=O)NC3CC3)cc2)cc1OCC
InChIInChI=1S/C24H30N2O4/c1-4-14-30-21-13-10-19(15-22(21)29-5-2)24(28)26(3)16-17-6-8-18(9-7-17)23(27)25-20-11-12-20/h6-10,13,15,20H,4-5,11-12,14,16H2,1-3H3,(H,25,27)
InChIKeyTVDFTHGJKBWQGY-UHFFFAOYSA-N
MW410.51 g/mol
LogP4.04
Rot. Bonds10

About N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-3-ethoxy-N-methyl-4-propoxybenzamide

N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-3-ethoxy-N-methyl-4-propoxybenzamide (PubChem CID 38398843) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-3-ethoxy-N-methyl-4-propoxybenzamide.

Molecular Properties

Compound NameN-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-3-ethoxy-N-methyl-4-propoxybenzamide
PubChem CID38398843
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC NameN-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-3-ethoxy-N-methyl-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)N(C)Cc2ccc(C(=O)NC3CC3)cc2)cc1OCC
InChIInChI=1S/C24H30N2O4/c1-4-14-30-21-13-10-19(15-22(21)29-5-2)24(28)26(3)16-17-6-8-18(9-7-17)23(27)25-20-11-12-20/h6-10,13,15,20H,4-5,11-12,14,16H2,1-3H3,(H,25,27)
InChIKeyTVDFTHGJKBWQGY-UHFFFAOYSA-N
XLogP4.04
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-3-ethoxy-4-methoxy-N-methylbenzamide
CID 38394612
N-(4-aminocyclohexyl)-3-ethoxy-4-propoxybenzamide
CID 119477535
N-[(4-fluorophenyl)methyl]-N-methyl-3,4-dipropoxybenzamide
CID 55358457
1-N-cyclopropyl-4-N-[(3,4-dimethoxyphenyl)methyl]-4-N-methylbenzene-1,4-dicarboxamide
CID 178070560
3-ethoxy-N-piperidin-4-yl-4-propoxybenzamide;hydrochloride
CID 119388905
N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-2-(4-ethoxyphenyl)-N-methyl-1,3-dioxoisoindole-5-carboxamide
CID 46565896
N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-2,3-diethyl-N-methylquinoxaline-6-carboxamide
CID 30797400
N-cyclohexyl-3,4-diethoxybenzamide
CID 917356
3-ethoxy-4-propoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119452708
N-[(4-cyanophenyl)methyl]-3,4-diethoxy-N-methylbenzamide
CID 39858958
N-[2-(cyclopropylamino)-2-oxoethyl]-4-ethoxy-3-methoxy-N-methylbenzamide
CID 86910385
N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-methyl-3-nitrobenzamide
CID 38393694

Frequently Asked Questions

What is the IUPAC name of N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-3-ethoxy-N-methyl-4-propoxybenzamide?
The IUPAC name of N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-3-ethoxy-N-methyl-4-propoxybenzamide (CID 38398843) is N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-3-ethoxy-N-methyl-4-propoxybenzamide.
What is the SMILES notation for N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-3-ethoxy-N-methyl-4-propoxybenzamide?
The canonical SMILES for N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-3-ethoxy-N-methyl-4-propoxybenzamide is CCCOc1ccc(C(=O)N(C)Cc2ccc(C(=O)NC3CC3)cc2)cc1OCC.
What is the InChIKey of N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-3-ethoxy-N-methyl-4-propoxybenzamide?
The InChIKey is TVDFTHGJKBWQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-4-14-30-21-13-10-19(15-22(21)29-5-2)24(28)26(3)16-17-6-8-18(9-7-17)23(27)25-20-11-12-20/h6-10,13,15,20H,4-5,11-12,14,16H2,1-3H3,(H,25,27).
What are the key properties of N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-3-ethoxy-N-methyl-4-propoxybenzamide?
N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-3-ethoxy-N-methyl-4-propoxybenzamide has a molecular weight of 410.51 g/mol, XLogP of 4.04, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-3-ethoxy-N-methyl-4-propoxybenzamide is sourced from PubChem (CID 38398843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).