N-cyclopropyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]cyclobutanecarboxamide

C25H32N2O5 — CID 3496002

IUPACN-cyclopropyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]cyclobutanecarboxamide
SMILESCOc1ccc(CCN(Cc2ccco2)C(=O)CN(C(=O)C2CCC2)C2CC2)cc1OC
InChIInChI=1S/C25H32N2O5/c1-30-22-11-8-18(15-23(22)31-2)12-13-26(16-21-7-4-14-32-21)24(28)17-27(20-9-10-20)25(29)19-5-3-6-19/h4,7-8,11,14-15,19-20H,3,5-6,9-10,12-13,16-17H2,1-2H3
InChIKeySPVCQMOKYUVYDY-UHFFFAOYSA-N
MW440.54 g/mol
LogP3.66
Rot. Bonds11

About N-cyclopropyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]cyclobutanecarboxamide

N-cyclopropyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]cyclobutanecarboxamide (PubChem CID 3496002) has the molecular formula C25H32N2O5 and a molecular weight of 440.54 g/mol. Its IUPAC name is N-cyclopropyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]cyclobutanecarboxamide
PubChem CID3496002
Molecular FormulaC25H32N2O5
Molecular Weight440.54 g/mol
Exact Mass440.23
IUPAC NameN-cyclopropyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]cyclobutanecarboxamide
SMILESCOc1ccc(CCN(Cc2ccco2)C(=O)CN(C(=O)C2CCC2)C2CC2)cc1OC
InChIInChI=1S/C25H32N2O5/c1-30-22-11-8-18(15-23(22)31-2)12-13-26(16-21-7-4-14-32-21)24(28)17-27(20-9-10-20)25(29)19-5-3-6-19/h4,7-8,11,14-15,19-20H,3,5-6,9-10,12-13,16-17H2,1-2H3
InChIKeySPVCQMOKYUVYDY-UHFFFAOYSA-N
XLogP3.66
TPSA72.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)cyclohexanecarboxamide
CID 3561496
N-cyclopropyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]adamantane-1-carboxamide
CID 3947518
N-cyclohexyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-3-fluorobenzamide
CID 3880577
N-cyclopropyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]cyclopropanecarboxamide
CID 4032294
N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)cyclopropanecarboxamide
CID 4044029
N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-methoxypropyl)-2-phenylcyclopropane-1-carboxamide
CID 4021706
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(furan-2-ylmethyl)-2-[3-methoxypropyl(methylsulfonyl)amino]acetamide
CID 42773209
N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)cyclobutanecarboxamide
CID 3924733
N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-2,6-dimethoxy-N-propan-2-ylbenzamide
CID 4544789
2,2-dichloro-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)acetamide
CID 42772845
2-chloro-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)propanamide
CID 3395188
(3S)-N-tert-butyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-3,5,5-trimethylhexanamide
CID 92970707

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]cyclobutanecarboxamide?
The IUPAC name of N-cyclopropyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]cyclobutanecarboxamide (CID 3496002) is N-cyclopropyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]cyclobutanecarboxamide.
What is the SMILES notation for N-cyclopropyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]cyclobutanecarboxamide?
The canonical SMILES for N-cyclopropyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]cyclobutanecarboxamide is COc1ccc(CCN(Cc2ccco2)C(=O)CN(C(=O)C2CCC2)C2CC2)cc1OC.
What is the InChIKey of N-cyclopropyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]cyclobutanecarboxamide?
The InChIKey is SPVCQMOKYUVYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O5/c1-30-22-11-8-18(15-23(22)31-2)12-13-26(16-21-7-4-14-32-21)24(28)17-27(20-9-10-20)25(29)19-5-3-6-19/h4,7-8,11,14-15,19-20H,3,5-6,9-10,12-13,16-17H2,1-2H3.
What are the key properties of N-cyclopropyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]cyclobutanecarboxamide?
N-cyclopropyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]cyclobutanecarboxamide has a molecular weight of 440.54 g/mol, XLogP of 3.66, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]cyclobutanecarboxamide is sourced from PubChem (CID 3496002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).