2-[cyclopropylmethyl-[(3,5-difluorophenyl)methyl]amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide

C27H30F2N2O2 — CID 46128931

IUPAC2-[cyclopropylmethyl-[(3,5-difluorophenyl)methyl]amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide
SMILESCc1ccc(CN(CCc2ccccc2)C(=O)CN(Cc2cc(F)cc(F)c2)CC2CC2)o1
InChIInChI=1S/C27H30F2N2O2/c1-20-7-10-26(33-20)18-31(12-11-21-5-3-2-4-6-21)27(32)19-30(16-22-8-9-22)17-23-13-24(28)15-25(29)14-23/h2-7,10,13-15,22H,8-9,11-12,16-19H2,1H3
InChIKeyRZPQJFSDECEZTK-UHFFFAOYSA-N
MW452.55 g/mol
LogP5.35
Rot. Bonds11

About 2-[cyclopropylmethyl-[(3,5-difluorophenyl)methyl]amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide

2-[cyclopropylmethyl-[(3,5-difluorophenyl)methyl]amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide (PubChem CID 46128931) has the molecular formula C27H30F2N2O2 and a molecular weight of 452.55 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[(3,5-difluorophenyl)methyl]amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[cyclopropylmethyl-[(3,5-difluorophenyl)methyl]amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide
PubChem CID46128931
Molecular FormulaC27H30F2N2O2
Molecular Weight452.55 g/mol
Exact Mass452.23
IUPAC Name2-[cyclopropylmethyl-[(3,5-difluorophenyl)methyl]amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide
SMILESCc1ccc(CN(CCc2ccccc2)C(=O)CN(Cc2cc(F)cc(F)c2)CC2CC2)o1
InChIInChI=1S/C27H30F2N2O2/c1-20-7-10-26(33-20)18-31(12-11-21-5-3-2-4-6-21)27(32)19-30(16-22-8-9-22)17-23-13-24(28)15-25(29)14-23/h2-7,10,13-15,22H,8-9,11-12,16-19H2,1H3
InChIKeyRZPQJFSDECEZTK-UHFFFAOYSA-N
XLogP5.35
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.55
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[cyclopropylmethyl-[(3,5-difluorophenyl)methyl]amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cyclopropylmethyl-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]azanium
CID 7405274
2-[(3-chlorophenyl)carbamoyl-(cyclopropylmethyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide
CID 3487602
N-cyclohexyl-4-fluoro-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]benzamide
CID 3610810
N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-(2-pyrrolidin-1-ylethyl)cyclobutanecarboxamide
CID 4233999
N-butan-2-yl-4-fluoro-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]benzamide
CID 3542330
N-(cyclopropylmethyl)-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-2-fluorobenzamide
CID 5039167
2-[tert-butylcarbamoyl(cyclopropyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide
CID 5228415
2-[butyl-[(4-tert-butylphenyl)methyl]amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide
CID 46128888
2-[(2-chloro-6-fluorophenyl)methyl-propylamino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide
CID 42797644
cyclopropylmethyl-[(2R)-1-ethoxy-1-oxopropan-2-yl]-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]azanium
CID 7296135
4-fluoro-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 3897508
2-[(3-fluorophenyl)carbamoyl-(oxolan-2-ylmethyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide
CID 3346955

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[(3,5-difluorophenyl)methyl]amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[cyclopropylmethyl-[(3,5-difluorophenyl)methyl]amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide (CID 46128931) is 2-[cyclopropylmethyl-[(3,5-difluorophenyl)methyl]amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[cyclopropylmethyl-[(3,5-difluorophenyl)methyl]amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[cyclopropylmethyl-[(3,5-difluorophenyl)methyl]amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide is Cc1ccc(CN(CCc2ccccc2)C(=O)CN(Cc2cc(F)cc(F)c2)CC2CC2)o1.
What is the InChIKey of 2-[cyclopropylmethyl-[(3,5-difluorophenyl)methyl]amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide?
The InChIKey is RZPQJFSDECEZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30F2N2O2/c1-20-7-10-26(33-20)18-31(12-11-21-5-3-2-4-6-21)27(32)19-30(16-22-8-9-22)17-23-13-24(28)15-25(29)14-23/h2-7,10,13-15,22H,8-9,11-12,16-19H2,1H3.
What are the key properties of 2-[cyclopropylmethyl-[(3,5-difluorophenyl)methyl]amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide?
2-[cyclopropylmethyl-[(3,5-difluorophenyl)methyl]amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide has a molecular weight of 452.55 g/mol, XLogP of 5.35, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-[(3,5-difluorophenyl)methyl]amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 46128931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).