2-methyl-2-(methylcarbamoylamino)-N-[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide

C16H20F3N3O2 — CID 95283670

IUPAC2-methyl-2-(methylcarbamoylamino)-N-[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide
SMILESCNC(=O)NC(C)(C)C(=O)N[C@H]1C[C@H]1c1ccccc1C(F)(F)F
InChIInChI=1S/C16H20F3N3O2/c1-15(2,22-14(24)20-3)13(23)21-12-8-10(12)9-6-4-5-7-11(9)16(17,18)19/h4-7,10,12H,8H2,1-3H3,(H,21,23)(H2,20,22,24)/t10-,12-/m0/s1
InChIKeyWYHZNDBKDXCOJX-JQWIXIFHSA-N
MW343.35 g/mol
LogP2.39
Rot. Bonds4

About 2-methyl-2-(methylcarbamoylamino)-N-[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide

2-methyl-2-(methylcarbamoylamino)-N-[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide (PubChem CID 95283670) has the molecular formula C16H20F3N3O2 and a molecular weight of 343.35 g/mol. Its IUPAC name is 2-methyl-2-(methylcarbamoylamino)-N-[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide.

Molecular Properties

Compound Name2-methyl-2-(methylcarbamoylamino)-N-[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide
PubChem CID95283670
Molecular FormulaC16H20F3N3O2
Molecular Weight343.35 g/mol
Exact Mass343.15
IUPAC Name2-methyl-2-(methylcarbamoylamino)-N-[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide
SMILESCNC(=O)NC(C)(C)C(=O)N[C@H]1C[C@H]1c1ccccc1C(F)(F)F
InChIInChI=1S/C16H20F3N3O2/c1-15(2,22-14(24)20-3)13(23)21-12-8-10(12)9-6-4-5-7-11(9)16(17,18)19/h4-7,10,12H,8H2,1-3H3,(H,21,23)(H2,20,22,24)/t10-,12-/m0/s1
InChIKeyWYHZNDBKDXCOJX-JQWIXIFHSA-N
XLogP2.39
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-methylsulfanyl-N-[(1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide
CID 124839823
(2R)-2-methylsulfonyl-N-[(1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide
CID 124850587
(2R)-2-methylsulfonyl-N-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide
CID 95288333
3-acetamido-N-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide
CID 95273692
3-amino-N-[2-[2-(trifluoromethyl)phenyl]cyclopropyl]butanamide;hydrochloride
CID 119766578
3-acetamido-N-[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide
CID 95273694
(2S)-2-methyl-3-methylsulfonyl-N-[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide
CID 124731048
1,3,5-trimethyl-N-[(1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]pyrazole-4-carboxamide
CID 95281401
1,3,5-trimethyl-N-[(1R,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]pyrazole-4-carboxamide
CID 95281399
2,2,2-trifluoro-N-[(1R,2S)-2-phenylcyclopropyl]acetamide
CID 92859467
ethyl N-[3-oxo-3-[[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]amino]propyl]carbamate
CID 95273586
4-(aminomethyl)-N-[2-[2-(trifluoromethyl)phenyl]cyclopropyl]oxane-4-carboxamide
CID 120930074

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylcarbamoylamino)-N-[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide?
The IUPAC name of 2-methyl-2-(methylcarbamoylamino)-N-[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide (CID 95283670) is 2-methyl-2-(methylcarbamoylamino)-N-[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide.
What is the SMILES notation for 2-methyl-2-(methylcarbamoylamino)-N-[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide?
The canonical SMILES for 2-methyl-2-(methylcarbamoylamino)-N-[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide is CNC(=O)NC(C)(C)C(=O)N[C@H]1C[C@H]1c1ccccc1C(F)(F)F.
What is the InChIKey of 2-methyl-2-(methylcarbamoylamino)-N-[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide?
The InChIKey is WYHZNDBKDXCOJX-JQWIXIFHSA-N. The full InChI is InChI=1S/C16H20F3N3O2/c1-15(2,22-14(24)20-3)13(23)21-12-8-10(12)9-6-4-5-7-11(9)16(17,18)19/h4-7,10,12H,8H2,1-3H3,(H,21,23)(H2,20,22,24)/t10-,12-/m0/s1.
What are the key properties of 2-methyl-2-(methylcarbamoylamino)-N-[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide?
2-methyl-2-(methylcarbamoylamino)-N-[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide has a molecular weight of 343.35 g/mol, XLogP of 2.39, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylcarbamoylamino)-N-[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]propanamide is sourced from PubChem (CID 95283670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).