2-[acetyl(2-methylpropyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylfuran-2-yl)methyl]acetamide

C24H34N2O5 — CID 5026489

IUPAC2-[acetyl(2-methylpropyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylfuran-2-yl)methyl]acetamide
SMILESCOc1ccc(CCN(Cc2ccc(C)o2)C(=O)CN(CC(C)C)C(C)=O)cc1OC
InChIInChI=1S/C24H34N2O5/c1-17(2)14-26(19(4)27)16-24(28)25(15-21-9-7-18(3)31-21)12-11-20-8-10-22(29-5)23(13-20)30-6/h7-10,13,17H,11-12,14-16H2,1-6H3
InChIKeyPZEAKXGRSBIUBL-UHFFFAOYSA-N
MW430.55 g/mol
LogP3.68
Rot. Bonds11

About 2-[acetyl(2-methylpropyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylfuran-2-yl)methyl]acetamide

2-[acetyl(2-methylpropyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylfuran-2-yl)methyl]acetamide (PubChem CID 5026489) has the molecular formula C24H34N2O5 and a molecular weight of 430.55 g/mol. Its IUPAC name is 2-[acetyl(2-methylpropyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylfuran-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[acetyl(2-methylpropyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylfuran-2-yl)methyl]acetamide
PubChem CID5026489
Molecular FormulaC24H34N2O5
Molecular Weight430.55 g/mol
Exact Mass430.25
IUPAC Name2-[acetyl(2-methylpropyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylfuran-2-yl)methyl]acetamide
SMILESCOc1ccc(CCN(Cc2ccc(C)o2)C(=O)CN(CC(C)C)C(C)=O)cc1OC
InChIInChI=1S/C24H34N2O5/c1-17(2)14-26(19(4)27)16-24(28)25(15-21-9-7-18(3)31-21)12-11-20-8-10-22(29-5)23(13-20)30-6/h7-10,13,17H,11-12,14-16H2,1-6H3
InChIKeyPZEAKXGRSBIUBL-UHFFFAOYSA-N
XLogP3.68
TPSA72.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(3-methylbutyl)propanamide
CID 3416049
4-chloro-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
CID 5024195
N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methylpropyl)furan-2-carboxamide
CID 5026492
N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-2-fluoro-N-(3-methylbutyl)benzamide
CID 5104676
N-[(2S)-butan-2-yl]-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-2-methylpropanamide
CID 92960141
2-[[(2S)-butan-2-yl]-(ethylcarbamoyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 93114760
N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-phenylacetamide
CID 4300601
2-[butan-2-yl(tert-butylcarbamoyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 4273304
N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-4-fluoro-N-propylbenzamide
CID 3430800
N-butan-2-yl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 5176279
2-chloro-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)propanamide
CID 3395188
N-(cyclopropylmethyl)-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-3,3-dimethylbutanamide
CID 3436202

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(2-methylpropyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylfuran-2-yl)methyl]acetamide?
The IUPAC name of 2-[acetyl(2-methylpropyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylfuran-2-yl)methyl]acetamide (CID 5026489) is 2-[acetyl(2-methylpropyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylfuran-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[acetyl(2-methylpropyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylfuran-2-yl)methyl]acetamide?
The canonical SMILES for 2-[acetyl(2-methylpropyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylfuran-2-yl)methyl]acetamide is COc1ccc(CCN(Cc2ccc(C)o2)C(=O)CN(CC(C)C)C(C)=O)cc1OC.
What is the InChIKey of 2-[acetyl(2-methylpropyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylfuran-2-yl)methyl]acetamide?
The InChIKey is PZEAKXGRSBIUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O5/c1-17(2)14-26(19(4)27)16-24(28)25(15-21-9-7-18(3)31-21)12-11-20-8-10-22(29-5)23(13-20)30-6/h7-10,13,17H,11-12,14-16H2,1-6H3.
What are the key properties of 2-[acetyl(2-methylpropyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylfuran-2-yl)methyl]acetamide?
2-[acetyl(2-methylpropyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylfuran-2-yl)methyl]acetamide has a molecular weight of 430.55 g/mol, XLogP of 3.68, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(2-methylpropyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylfuran-2-yl)methyl]acetamide is sourced from PubChem (CID 5026489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).