trans-(1R,2R)-N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-phenylcyclopropane-1-carboxamide

C27H29FN2O4 — CID 93110246

IUPACtrans-(1R,2R)-N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-phenylcyclopropane-1-carboxamide
SMILESCOCCN(CC(=O)N(Cc1ccc(F)cc1)Cc1ccco1)C(=O)[C@@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C27H29FN2O4/c1-33-15-13-29(27(32)25-16-24(25)21-6-3-2-4-7-21)19-26(31)30(18-23-8-5-14-34-23)17-20-9-11-22(28)12-10-20/h2-12,14,24-25H,13,15-19H2,1H3/t24-,25+/m0/s1
InChIKeyOJRGESOLFDYGND-LOSJGSFVSA-N
MW464.54 g/mol
LogP4.23
Rot. Bonds11

About trans-(1R,2R)-N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-phenylcyclopropane-1-carboxamide

trans-(1R,2R)-N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-phenylcyclopropane-1-carboxamide (PubChem CID 93110246) has the molecular formula C27H29FN2O4 and a molecular weight of 464.54 g/mol. Its IUPAC name is trans-(1R,2R)-N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-phenylcyclopropane-1-carboxamide
PubChem CID93110246
Molecular FormulaC27H29FN2O4
Molecular Weight464.54 g/mol
Exact Mass464.21
IUPAC Nametrans-(1R,2R)-N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-phenylcyclopropane-1-carboxamide
SMILESCOCCN(CC(=O)N(Cc1ccc(F)cc1)Cc1ccco1)C(=O)[C@@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C27H29FN2O4/c1-33-15-13-29(27(32)25-16-24(25)21-6-3-2-4-7-21)19-26(31)30(18-23-8-5-14-34-23)17-20-9-11-22(28)12-10-20/h2-12,14,24-25H,13,15-19H2,1H3/t24-,25+/m0/s1
InChIKeyOJRGESOLFDYGND-LOSJGSFVSA-N
XLogP4.23
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.54
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)propanamide
CID 42773483
N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)adamantane-1-carboxamide
CID 3452297
N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)naphthalene-2-carboxamide
CID 5054945
N-benzyl-N-(furan-2-ylmethyl)-2-phenylcyclopropane-1-carboxamide
CID 3873675
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-2-(4-fluorophenyl)-N-(3-methoxypropyl)acetamide
CID 3675725
N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-methoxypropyl)-2-phenylcyclopropane-1-carboxamide
CID 4021706
2-[benzenesulfonyl(2-methoxyethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide
CID 42664764
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)benzamide
CID 42773009
cis-(1S,2R)-N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-2-phenyl-N-propan-2-ylcyclopropane-1-carboxamide
CID 93109865
N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-3,5-dimethoxy-N-(2-methoxyethyl)benzamide
CID 4199823
N-benzyl-2-[dimethylcarbamoyl(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 42773023
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)-2-phenylcyclopropane-1-carboxamide
CID 4145732

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-phenylcyclopropane-1-carboxamide (CID 93110246) is trans-(1R,2R)-N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-phenylcyclopropane-1-carboxamide is COCCN(CC(=O)N(Cc1ccc(F)cc1)Cc1ccco1)C(=O)[C@@H]1C[C@H]1c1ccccc1.
What is the InChIKey of trans-(1R,2R)-N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-phenylcyclopropane-1-carboxamide?
The InChIKey is OJRGESOLFDYGND-LOSJGSFVSA-N. The full InChI is InChI=1S/C27H29FN2O4/c1-33-15-13-29(27(32)25-16-24(25)21-6-3-2-4-7-21)19-26(31)30(18-23-8-5-14-34-23)17-20-9-11-22(28)12-10-20/h2-12,14,24-25H,13,15-19H2,1H3/t24-,25+/m0/s1.
What are the key properties of trans-(1R,2R)-N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-phenylcyclopropane-1-carboxamide?
trans-(1R,2R)-N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-phenylcyclopropane-1-carboxamide has a molecular weight of 464.54 g/mol, XLogP of 4.23, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 93110246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).