N-cyclopropyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-2-methylbenzamide

C29H34N2O5 — CID 4216866

IUPACN-cyclopropyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-2-methylbenzamide
SMILESCOc1ccc(CCN(Cc2ccc(C)o2)C(=O)CN(C(=O)c2ccccc2C)C2CC2)cc1OC
InChIInChI=1S/C29H34N2O5/c1-20-7-5-6-8-25(20)29(33)31(23-11-12-23)19-28(32)30(18-24-13-9-21(2)36-24)16-15-22-10-14-26(34-3)27(17-22)35-4/h5-10,13-14,17,23H,11-12,15-16,18-19H2,1-4H3
InChIKeyJLBZLIMBEHBOKT-UHFFFAOYSA-N
MW490.60 g/mol
LogP4.79
Rot. Bonds11

About N-cyclopropyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-2-methylbenzamide

N-cyclopropyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-2-methylbenzamide (PubChem CID 4216866) has the molecular formula C29H34N2O5 and a molecular weight of 490.60 g/mol. Its IUPAC name is N-cyclopropyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-2-methylbenzamide
PubChem CID4216866
Molecular FormulaC29H34N2O5
Molecular Weight490.60 g/mol
Exact Mass490.25
IUPAC NameN-cyclopropyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-2-methylbenzamide
SMILESCOc1ccc(CCN(Cc2ccc(C)o2)C(=O)CN(C(=O)c2ccccc2C)C2CC2)cc1OC
InChIInChI=1S/C29H34N2O5/c1-20-7-5-6-8-25(20)29(33)31(23-11-12-23)19-28(32)30(18-24-13-9-21(2)36-24)16-15-22-10-14-26(34-3)27(17-22)35-4/h5-10,13-14,17,23H,11-12,15-16,18-19H2,1-4H3
InChIKeyJLBZLIMBEHBOKT-UHFFFAOYSA-N
XLogP4.79
TPSA72.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.60
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-cyclopropyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]benzamide
CID 4031301
N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-2-methyl-N-prop-2-enylbenzamide
CID 4033759
N-(cyclopropylmethyl)-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-2-fluorobenzamide
CID 5039167
N-cyclohexyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-4-fluorobenzamide
CID 3671558
N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-2-fluoro-N-(3-methylbutyl)benzamide
CID 5104676
2-[cyclopropylmethyl(ethylcarbamoyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 3398328
N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-4-methoxy-N-(oxolan-2-ylmethyl)benzamide
CID 4037416
N-(cyclopropylmethyl)-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-3,3-dimethylbutanamide
CID 3436202
4-chloro-N-(cyclopropylmethyl)-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]benzamide
CID 3630821
N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-phenylacetamide
CID 4300601
N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-2-fluoro-N-(2-piperidin-1-ylethyl)benzamide
CID 3955225
N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(2-pyrrolidin-1-ylethyl)cyclopropanecarboxamide
CID 5206229

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-2-methylbenzamide?
The IUPAC name of N-cyclopropyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-2-methylbenzamide (CID 4216866) is N-cyclopropyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-2-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-2-methylbenzamide?
The canonical SMILES for N-cyclopropyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-2-methylbenzamide is COc1ccc(CCN(Cc2ccc(C)o2)C(=O)CN(C(=O)c2ccccc2C)C2CC2)cc1OC.
What is the InChIKey of N-cyclopropyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-2-methylbenzamide?
The InChIKey is JLBZLIMBEHBOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N2O5/c1-20-7-5-6-8-25(20)29(33)31(23-11-12-23)19-28(32)30(18-24-13-9-21(2)36-24)16-15-22-10-14-26(34-3)27(17-22)35-4/h5-10,13-14,17,23H,11-12,15-16,18-19H2,1-4H3.
What are the key properties of N-cyclopropyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-2-methylbenzamide?
N-cyclopropyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-2-methylbenzamide has a molecular weight of 490.60 g/mol, XLogP of 4.79, 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-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-2-methylbenzamide is sourced from PubChem (CID 4216866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).