N-[[4-(ethylcarbamoyl)phenyl]methyl]-4-methoxy-2-(2-methylpropoxy)benzamide

C22H28N2O4 — CID 119046638

IUPACN-[[4-(ethylcarbamoyl)phenyl]methyl]-4-methoxy-2-(2-methylpropoxy)benzamide
SMILESCCNC(=O)c1ccc(CNC(=O)c2ccc(OC)cc2OCC(C)C)cc1
InChIInChI=1S/C22H28N2O4/c1-5-23-21(25)17-8-6-16(7-9-17)13-24-22(26)19-11-10-18(27-4)12-20(19)28-14-15(2)3/h6-12,15H,5,13-14H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyAAVOZRAVUCKMPK-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.41
Rot. Bonds9

About N-[[4-(ethylcarbamoyl)phenyl]methyl]-4-methoxy-2-(2-methylpropoxy)benzamide

N-[[4-(ethylcarbamoyl)phenyl]methyl]-4-methoxy-2-(2-methylpropoxy)benzamide (PubChem CID 119046638) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[[4-(ethylcarbamoyl)phenyl]methyl]-4-methoxy-2-(2-methylpropoxy)benzamide.

Molecular Properties

Compound NameN-[[4-(ethylcarbamoyl)phenyl]methyl]-4-methoxy-2-(2-methylpropoxy)benzamide
PubChem CID119046638
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC NameN-[[4-(ethylcarbamoyl)phenyl]methyl]-4-methoxy-2-(2-methylpropoxy)benzamide
SMILESCCNC(=O)c1ccc(CNC(=O)c2ccc(OC)cc2OCC(C)C)cc1
InChIInChI=1S/C22H28N2O4/c1-5-23-21(25)17-8-6-16(7-9-17)13-24-22(26)19-11-10-18(27-4)12-20(19)28-14-15(2)3/h6-12,15H,5,13-14H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyAAVOZRAVUCKMPK-UHFFFAOYSA-N
XLogP3.41
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methylpropoxy)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 43911075
2,4-dimethoxy-N-[[4-(2-methylpropanoylamino)phenyl]methyl]benzamide
CID 51332897
3-(difluoromethoxy)-N-[[4-(ethylcarbamoyl)phenyl]methyl]-4-methoxybenzamide
CID 87001161
N-ethyl-4-[(4-methoxyphenyl)methylamino]benzamide
CID 43728493
N-[(4-butoxy-3-methoxyphenyl)methyl]-2,4-dimethoxybenzamide
CID 39971385
N-ethyl-4-[[[N-[2-(3-methoxyphenoxy)propyl]-N'-methylcarbamimidoyl]amino]methyl]benzamide
CID 111679706
N-ethyl-4-[[[4-(methoxymethyl)benzoyl]amino]methyl]benzamide
CID 86990014
N-[(4-hydroxyphenyl)methyl]-2,5-dimethoxybenzamide
CID 115577613
N-ethyl-4-[[4-(2-methylpropoxy)benzoyl]amino]benzamide
CID 17234354
3-bromo-N-ethyl-4-(2-methylpropoxy)benzamide
CID 17351708
4-ethoxy-N-[[4-[[(4-ethoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 3528873
2-chloro-4-methoxy-N-[(4-methoxyphenyl)methyl]benzamide
CID 110763493

Frequently Asked Questions

What is the IUPAC name of N-[[4-(ethylcarbamoyl)phenyl]methyl]-4-methoxy-2-(2-methylpropoxy)benzamide?
The IUPAC name of N-[[4-(ethylcarbamoyl)phenyl]methyl]-4-methoxy-2-(2-methylpropoxy)benzamide (CID 119046638) is N-[[4-(ethylcarbamoyl)phenyl]methyl]-4-methoxy-2-(2-methylpropoxy)benzamide.
What is the SMILES notation for N-[[4-(ethylcarbamoyl)phenyl]methyl]-4-methoxy-2-(2-methylpropoxy)benzamide?
The canonical SMILES for N-[[4-(ethylcarbamoyl)phenyl]methyl]-4-methoxy-2-(2-methylpropoxy)benzamide is CCNC(=O)c1ccc(CNC(=O)c2ccc(OC)cc2OCC(C)C)cc1.
What is the InChIKey of N-[[4-(ethylcarbamoyl)phenyl]methyl]-4-methoxy-2-(2-methylpropoxy)benzamide?
The InChIKey is AAVOZRAVUCKMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-5-23-21(25)17-8-6-16(7-9-17)13-24-22(26)19-11-10-18(27-4)12-20(19)28-14-15(2)3/h6-12,15H,5,13-14H2,1-4H3,(H,23,25)(H,24,26).
What are the key properties of N-[[4-(ethylcarbamoyl)phenyl]methyl]-4-methoxy-2-(2-methylpropoxy)benzamide?
N-[[4-(ethylcarbamoyl)phenyl]methyl]-4-methoxy-2-(2-methylpropoxy)benzamide has a molecular weight of 384.48 g/mol, XLogP of 3.41, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(ethylcarbamoyl)phenyl]methyl]-4-methoxy-2-(2-methylpropoxy)benzamide is sourced from PubChem (CID 119046638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).