2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide

C16H21F3N2O2 — CID 87014260

IUPAC2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCOc1ccc(CN(CC(=O)N(C)CC(F)(F)F)C2CC2)cc1
InChIInChI=1S/C16H21F3N2O2/c1-20(11-16(17,18)19)15(22)10-21(13-5-6-13)9-12-3-7-14(23-2)8-4-12/h3-4,7-8,13H,5-6,9-11H2,1-2H3
InChIKeyYWNDKYDFDDQSPD-UHFFFAOYSA-N
MW330.35 g/mol
LogP2.68
Rot. Bonds7

About 2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide

2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 87014260) has the molecular formula C16H21F3N2O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is 2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID87014260
Molecular FormulaC16H21F3N2O2
Molecular Weight330.35 g/mol
Exact Mass330.16
IUPAC Name2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCOc1ccc(CN(CC(=O)N(C)CC(F)(F)F)C2CC2)cc1
InChIInChI=1S/C16H21F3N2O2/c1-20(11-16(17,18)19)15(22)10-21(13-5-6-13)9-12-3-7-14(23-2)8-4-12/h3-4,7-8,13H,5-6,9-11H2,1-2H3
InChIKeyYWNDKYDFDDQSPD-UHFFFAOYSA-N
XLogP2.68
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylacetamide
CID 18087132
N'-acetyl-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetohydrazide
CID 8770707
2-[[(3S)-1,1-dioxothiolan-3-yl]-[(4-methoxyphenyl)methyl]amino]-N,N-di(propan-2-yl)acetamide
CID 35031781
N-(4-chlorophenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide
CID 8770105
N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-methylacetamide
CID 8770767
2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 8770322
methyl 4-[[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetyl]amino]benzoate
CID 8770093
2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(2,5-dimethoxyphenyl)acetamide
CID 8769999
2-[(4-aminophenyl)methyl-cyclopropylamino]-N,N-dimethylacetamide
CID 43384089
N-methyl-2-[methyl-[(4-methylphenyl)methyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 78896082
2-(4-methoxyphenyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 78771326
2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(2,4,5-trichlorophenyl)acetamide
CID 8769959

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (CID 87014260) is 2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide is COc1ccc(CN(CC(=O)N(C)CC(F)(F)F)C2CC2)cc1.
What is the InChIKey of 2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is YWNDKYDFDDQSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O2/c1-20(11-16(17,18)19)15(22)10-21(13-5-6-13)9-12-3-7-14(23-2)8-4-12/h3-4,7-8,13H,5-6,9-11H2,1-2H3.
What are the key properties of 2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 330.35 g/mol, XLogP of 2.68, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 87014260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).