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

C22H26N2O4 — CID 38394612

IUPACN-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-3-ethoxy-4-methoxy-N-methylbenzamide
SMILESCCOc1cc(C(=O)N(C)Cc2ccc(C(=O)NC3CC3)cc2)ccc1OC
InChIInChI=1S/C22H26N2O4/c1-4-28-20-13-17(9-12-19(20)27-3)22(26)24(2)14-15-5-7-16(8-6-15)21(25)23-18-10-11-18/h5-9,12-13,18H,4,10-11,14H2,1-3H3,(H,23,25)
InChIKeyKPIKOMJTNIOCJF-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.26
Rot. Bonds8

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

N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-3-ethoxy-4-methoxy-N-methylbenzamide (PubChem CID 38394612) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-3-ethoxy-4-methoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-3-ethoxy-4-methoxy-N-methylbenzamide
PubChem CID38394612
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC NameN-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-3-ethoxy-4-methoxy-N-methylbenzamide
SMILESCCOc1cc(C(=O)N(C)Cc2ccc(C(=O)NC3CC3)cc2)ccc1OC
InChIInChI=1S/C22H26N2O4/c1-4-28-20-13-17(9-12-19(20)27-3)22(26)24(2)14-15-5-7-16(8-6-15)21(25)23-18-10-11-18/h5-9,12-13,18H,4,10-11,14H2,1-3H3,(H,23,25)
InChIKeyKPIKOMJTNIOCJF-UHFFFAOYSA-N
XLogP3.26
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-3-ethoxy-N-methyl-4-propoxybenzamide
CID 38398843
1-N-cyclopropyl-4-N-[(3,4-dimethoxyphenyl)methyl]-4-N-methylbenzene-1,4-dicarboxamide
CID 178070560
N-cyclohexyl-3-ethoxy-4-methoxybenzamide
CID 2992515
N-cycloheptyl-3-ethoxy-4-methoxybenzamide
CID 24539374
N-[4-(cyclopropylcarbamoyl)phenyl]-3-ethoxy-4-methoxybenzamide
CID 51299958
N-[2-(cyclopropylamino)-2-oxoethyl]-4-ethoxy-3-methoxy-N-methylbenzamide
CID 86910385
3-ethoxy-4-methoxy-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylbenzamide
CID 43012781
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
4-cyclopentyloxy-N-[(4-ethoxyphenyl)methyl]-3-methoxy-N-methylbenzamide
CID 55833317
4-ethoxy-3-methoxy-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 78771375
N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-3,5-dimethoxy-4-methylbenzamide
CID 33339391

Frequently Asked Questions

What is the IUPAC name of N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-3-ethoxy-4-methoxy-N-methylbenzamide?
The IUPAC name of N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-3-ethoxy-4-methoxy-N-methylbenzamide (CID 38394612) is N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-3-ethoxy-4-methoxy-N-methylbenzamide.
What is the SMILES notation for N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-3-ethoxy-4-methoxy-N-methylbenzamide?
The canonical SMILES for N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-3-ethoxy-4-methoxy-N-methylbenzamide is CCOc1cc(C(=O)N(C)Cc2ccc(C(=O)NC3CC3)cc2)ccc1OC.
What is the InChIKey of N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-3-ethoxy-4-methoxy-N-methylbenzamide?
The InChIKey is KPIKOMJTNIOCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-4-28-20-13-17(9-12-19(20)27-3)22(26)24(2)14-15-5-7-16(8-6-15)21(25)23-18-10-11-18/h5-9,12-13,18H,4,10-11,14H2,1-3H3,(H,23,25).
What are the key properties of N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-3-ethoxy-4-methoxy-N-methylbenzamide?
N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-3-ethoxy-4-methoxy-N-methylbenzamide has a molecular weight of 382.46 g/mol, XLogP of 3.26, 8 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-4-methoxy-N-methylbenzamide is sourced from PubChem (CID 38394612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).