N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2-ethylphenyl)carbamoyl-(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)acetamide

C29H37N3O6 — CID 4277048

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2-ethylphenyl)carbamoyl-(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)acetamide
SMILESCCc1ccccc1NC(=O)N(CCOC)CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccco1
InChIInChI=1S/C29H37N3O6/c1-5-23-9-6-7-11-25(23)30-29(34)32(16-18-35-2)21-28(33)31(20-24-10-8-17-38-24)15-14-22-12-13-26(36-3)27(19-22)37-4/h6-13,17,19H,5,14-16,18,20-21H2,1-4H3,(H,30,34)
InChIKeyALLUHJAIHPAVTG-UHFFFAOYSA-N
MW523.63 g/mol
LogP4.61
Rot. Bonds14

About N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2-ethylphenyl)carbamoyl-(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)acetamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2-ethylphenyl)carbamoyl-(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)acetamide (PubChem CID 4277048) has the molecular formula C29H37N3O6 and a molecular weight of 523.63 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2-ethylphenyl)carbamoyl-(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2-ethylphenyl)carbamoyl-(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)acetamide
PubChem CID4277048
Molecular FormulaC29H37N3O6
Molecular Weight523.63 g/mol
Exact Mass523.27
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2-ethylphenyl)carbamoyl-(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)acetamide
SMILESCCc1ccccc1NC(=O)N(CCOC)CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccco1
InChIInChI=1S/C29H37N3O6/c1-5-23-9-6-7-11-25(23)30-29(34)32(16-18-35-2)21-28(33)31(20-24-10-8-17-38-24)15-14-22-12-13-26(36-3)27(19-22)37-4/h6-13,17,19H,5,14-16,18,20-21H2,1-4H3,(H,30,34)
InChIKeyALLUHJAIHPAVTG-UHFFFAOYSA-N
XLogP4.61
TPSA93.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.63
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2-fluorophenyl)carbamoyl-(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 5010205
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(furan-2-ylmethyl)-2-[(2-methoxyphenyl)carbamoyl-(3-methoxypropyl)amino]acetamide
CID 3984362
2-[(2,6-dichlorophenyl)carbamoyl-(2-methoxyethyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(furan-2-ylmethyl)acetamide
CID 4619610
2,2-dichloro-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)acetamide
CID 42772845
2-[(2,4-dimethoxyphenyl)carbamoyl-(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
CID 4659721
2-[(3,4-difluorophenyl)carbamoyl-(3-methoxypropyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(furan-2-ylmethyl)acetamide
CID 3904107
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(3-fluorophenyl)carbamoyl-(3-methoxypropyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 3494114
N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-4-ethyl-N-(3-methoxypropyl)benzamide
CID 3911121
2-[butan-2-yl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(furan-2-ylmethyl)acetamide
CID 3452751
N-(1,3-benzodioxol-5-ylmethyl)-N-(furan-2-ylmethyl)-2-[2-methoxyethyl-[(2-methoxyphenyl)carbamoyl]amino]acetamide
CID 4205237
3,4-dichloro-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)benzamide
CID 3988283
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(furan-2-ylmethyl)-2-[naphthalen-1-ylcarbamoyl(propan-2-yl)amino]acetamide
CID 4003325

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2-ethylphenyl)carbamoyl-(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2-ethylphenyl)carbamoyl-(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)acetamide (CID 4277048) is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2-ethylphenyl)carbamoyl-(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2-ethylphenyl)carbamoyl-(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2-ethylphenyl)carbamoyl-(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)acetamide is CCc1ccccc1NC(=O)N(CCOC)CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccco1.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2-ethylphenyl)carbamoyl-(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is ALLUHJAIHPAVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N3O6/c1-5-23-9-6-7-11-25(23)30-29(34)32(16-18-35-2)21-28(33)31(20-24-10-8-17-38-24)15-14-22-12-13-26(36-3)27(19-22)37-4/h6-13,17,19H,5,14-16,18,20-21H2,1-4H3,(H,30,34).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2-ethylphenyl)carbamoyl-(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)acetamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2-ethylphenyl)carbamoyl-(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 523.63 g/mol, XLogP of 4.61, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2-ethylphenyl)carbamoyl-(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 4277048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).