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

C28H40N2O5 — CID 3436202

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

N-(cyclopropylmethyl)-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-3,3-dimethylbutanamide (PubChem CID 3436202) has the molecular formula C28H40N2O5 and a molecular weight of 484.64 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-3,3-dimethylbutanamide.

Molecular Properties

• Compound Name: N-(cyclopropylmethyl)-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-3,3-dimethylbutanamide
• PubChem CID: 3436202
• Molecular Formula: C28H40N2O5
• Molecular Weight: 484.64 g/mol
• Exact Mass: 484.29
• IUPAC Name: N-(cyclopropylmethyl)-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-3,3-dimethylbutanamide
• SMILES: COc1ccc(CCN(Cc2ccc(C)o2)C(=O)CN(CC2CC2)C(=O)CC(C)(C)C)cc1OC
• InChI: InChI=1S/C28H40N2O5/c1-20-7-11-23(35-20)18-29(14-13-21-10-12-24(33-5)25(15-21)34-6)27(32)19-30(17-22-8-9-22)26(31)16-28(2,3)4/h7,10-12,15,22H,8-9,13-14,16-19H2,1-6H3
• InChIKey: OEXVZTPPTHCWMY-UHFFFAOYSA-N
• XLogP: 4.85
• TPSA: 72.22 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.64
LogP ≤ 5	4.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-3,3-dimethylbutanamide?

The IUPAC name of N-(cyclopropylmethyl)-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-3,3-dimethylbutanamide (CID 3436202) is N-(cyclopropylmethyl)-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-3,3-dimethylbutanamide.

What is the SMILES notation for N-(cyclopropylmethyl)-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-3,3-dimethylbutanamide?

The canonical SMILES for N-(cyclopropylmethyl)-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-3,3-dimethylbutanamide is COc1ccc(CCN(Cc2ccc(C)o2)C(=O)CN(CC2CC2)C(=O)CC(C)(C)C)cc1OC.

What is the InChIKey of N-(cyclopropylmethyl)-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-3,3-dimethylbutanamide?

The InChIKey is OEXVZTPPTHCWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N2O5/c1-20-7-11-23(35-20)18-29(14-13-21-10-12-24(33-5)25(15-21)34-6)27(32)19-30(17-22-8-9-22)26(31)16-28(2,3)4/h7,10-12,15,22H,8-9,13-14,16-19H2,1-6H3.

What are the key properties of N-(cyclopropylmethyl)-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-3,3-dimethylbutanamide?

N-(cyclopropylmethyl)-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-3,3-dimethylbutanamide has a molecular weight of 484.64 g/mol, XLogP of 4.85, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(cyclopropylmethyl)-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 3436202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).