2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylacetamide

C22H27FN2O3 — CID 18087132

IUPAC2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylacetamide
SMILESCOc1ccc(CN(CC(=O)N(C)Cc2ccc(OC)c(F)c2)C2CC2)cc1
InChIInChI=1S/C22H27FN2O3/c1-24(13-17-6-11-21(28-3)20(23)12-17)22(26)15-25(18-7-8-18)14-16-4-9-19(27-2)10-5-16/h4-6,9-12,18H,7-8,13-15H2,1-3H3
InChIKeyKUKNULDMPGQBPI-UHFFFAOYSA-N
MW386.47 g/mol
LogP3.47
Rot. Bonds9

About 2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylacetamide

2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylacetamide (PubChem CID 18087132) has the molecular formula C22H27FN2O3 and a molecular weight of 386.47 g/mol. Its IUPAC name is 2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylacetamide
PubChem CID18087132
Molecular FormulaC22H27FN2O3
Molecular Weight386.47 g/mol
Exact Mass386.20
IUPAC Name2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylacetamide
SMILESCOc1ccc(CN(CC(=O)N(C)Cc2ccc(OC)c(F)c2)C2CC2)cc1
InChIInChI=1S/C22H27FN2O3/c1-24(13-17-6-11-21(28-3)20(23)12-17)22(26)15-25(18-7-8-18)14-16-4-9-19(27-2)10-5-16/h4-6,9-12,18H,7-8,13-15H2,1-3H3
InChIKeyKUKNULDMPGQBPI-UHFFFAOYSA-N
XLogP3.47
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylacetamide with MolForge

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Related Compounds

2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 87014260
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 82128248
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-methylacetamide
CID 109397833
[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl] 3-fluoro-4-methoxybenzoate
CID 18202925
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-3-oxobutanamide
CID 54867216
3-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-3-oxopropanoic acid
CID 62231403
2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(2,5-dimethoxyphenyl)acetamide
CID 8769999
N-[(3-fluoro-4-methoxyphenyl)methyl]-3,5-dimethoxy-N-methylbenzamide
CID 18115808
2-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylacetamide
CID 92801693
6-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-6-oxohexanoic acid
CID 60921327
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-hydroxyphenoxy)-N-methylacetamide
CID 17489631
2-(2-aminoethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylacetamide
CID 79473063

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylacetamide (CID 18087132) is 2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylacetamide is COc1ccc(CN(CC(=O)N(C)Cc2ccc(OC)c(F)c2)C2CC2)cc1.
What is the InChIKey of 2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylacetamide?
The InChIKey is KUKNULDMPGQBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O3/c1-24(13-17-6-11-21(28-3)20(23)12-17)22(26)15-25(18-7-8-18)14-16-4-9-19(27-2)10-5-16/h4-6,9-12,18H,7-8,13-15H2,1-3H3.
What are the key properties of 2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylacetamide?
2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylacetamide has a molecular weight of 386.47 g/mol, XLogP of 3.47, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 18087132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).