N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-3,5-dimethoxy-N-(2-methylpropyl)benzamide

C25H34N2O6 — CID 4636879

IUPACN-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-3,5-dimethoxy-N-(2-methylpropyl)benzamide
SMILESCOc1cc(OC)cc(C(=O)N(CC(=O)N(Cc2ccco2)CC2CCCO2)CC(C)C)c1
InChIInChI=1S/C25H34N2O6/c1-18(2)14-27(25(29)19-11-22(30-3)13-23(12-19)31-4)17-24(28)26(15-20-7-5-9-32-20)16-21-8-6-10-33-21/h5,7,9,11-13,18,21H,6,8,10,14-17H2,1-4H3
InChIKeyUCWWSIPOCGSZGC-UHFFFAOYSA-N
MW458.56 g/mol
LogP3.60
Rot. Bonds11

About N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-3,5-dimethoxy-N-(2-methylpropyl)benzamide

N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-3,5-dimethoxy-N-(2-methylpropyl)benzamide (PubChem CID 4636879) has the molecular formula C25H34N2O6 and a molecular weight of 458.56 g/mol. Its IUPAC name is N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-3,5-dimethoxy-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound NameN-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-3,5-dimethoxy-N-(2-methylpropyl)benzamide
PubChem CID4636879
Molecular FormulaC25H34N2O6
Molecular Weight458.56 g/mol
Exact Mass458.24
IUPAC NameN-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-3,5-dimethoxy-N-(2-methylpropyl)benzamide
SMILESCOc1cc(OC)cc(C(=O)N(CC(=O)N(Cc2ccco2)CC2CCCO2)CC(C)C)c1
InChIInChI=1S/C25H34N2O6/c1-18(2)14-27(25(29)19-11-22(30-3)13-23(12-19)31-4)17-24(28)26(15-20-7-5-9-32-20)16-21-8-6-10-33-21/h5,7,9,11-13,18,21H,6,8,10,14-17H2,1-4H3
InChIKeyUCWWSIPOCGSZGC-UHFFFAOYSA-N
XLogP3.60
TPSA81.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
CID 5146813
N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-4-methyl-N-(2-methylpropyl)benzamide
CID 5146816
N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-2-methoxy-N-(2-methylpropyl)benzamide
CID 93110082
N-(furan-2-ylmethyl)-2-[2-methylpropyl(methylsulfonyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 93110315
N-(furan-2-ylmethyl)-2-[(4-methoxyphenyl)carbamoyl-propan-2-ylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 1058395
N-[(2S)-butan-2-yl]-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-3-methylbenzamide
CID 7297141
2-[acetyl(propyl)amino]-N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 7271437
3-chloro-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-N-propylbenzamide
CID 7351365
N-butan-2-yl-3,4-dichloro-N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]benzamide
CID 42773390
2-[cyclopropyl-(2-methoxyacetyl)amino]-N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 7282936
2-[butyl-(2-methoxyacetyl)amino]-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)acetamide
CID 5145346
2-[cyclopropyl(dimethylcarbamoyl)amino]-N-(furan-2-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 7356779

Frequently Asked Questions

What is the IUPAC name of N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-3,5-dimethoxy-N-(2-methylpropyl)benzamide?
The IUPAC name of N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-3,5-dimethoxy-N-(2-methylpropyl)benzamide (CID 4636879) is N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-3,5-dimethoxy-N-(2-methylpropyl)benzamide.
What is the SMILES notation for N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-3,5-dimethoxy-N-(2-methylpropyl)benzamide?
The canonical SMILES for N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-3,5-dimethoxy-N-(2-methylpropyl)benzamide is COc1cc(OC)cc(C(=O)N(CC(=O)N(Cc2ccco2)CC2CCCO2)CC(C)C)c1.
What is the InChIKey of N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-3,5-dimethoxy-N-(2-methylpropyl)benzamide?
The InChIKey is UCWWSIPOCGSZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O6/c1-18(2)14-27(25(29)19-11-22(30-3)13-23(12-19)31-4)17-24(28)26(15-20-7-5-9-32-20)16-21-8-6-10-33-21/h5,7,9,11-13,18,21H,6,8,10,14-17H2,1-4H3.
What are the key properties of N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-3,5-dimethoxy-N-(2-methylpropyl)benzamide?
N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-3,5-dimethoxy-N-(2-methylpropyl)benzamide has a molecular weight of 458.56 g/mol, XLogP of 3.60, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-3,5-dimethoxy-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 4636879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).