2-[[(R)-cyclobutyl(phenyl)methyl]carbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide

C16H20F3N3O2 — CID 95312553

IUPAC2-[[(R)-cyclobutyl(phenyl)methyl]carbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNC(=O)N[C@@H](c1ccccc1)C1CCC1)NCC(F)(F)F
InChIInChI=1S/C16H20F3N3O2/c17-16(18,19)10-21-13(23)9-20-15(24)22-14(12-7-4-8-12)11-5-2-1-3-6-11/h1-3,5-6,12,14H,4,7-10H2,(H,21,23)(H2,20,22,24)/t14-/m0/s1
InChIKeyRNWPXTOQQHTDJP-AWEZNQCLSA-N
MW343.35 g/mol
LogP2.51
Rot. Bonds6

About 2-[[(R)-cyclobutyl(phenyl)methyl]carbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide

2-[[(R)-cyclobutyl(phenyl)methyl]carbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 95312553) has the molecular formula C16H20F3N3O2 and a molecular weight of 343.35 g/mol. Its IUPAC name is 2-[[(R)-cyclobutyl(phenyl)methyl]carbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[[(R)-cyclobutyl(phenyl)methyl]carbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID95312553
Molecular FormulaC16H20F3N3O2
Molecular Weight343.35 g/mol
Exact Mass343.15
IUPAC Name2-[[(R)-cyclobutyl(phenyl)methyl]carbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNC(=O)N[C@@H](c1ccccc1)C1CCC1)NCC(F)(F)F
InChIInChI=1S/C16H20F3N3O2/c17-16(18,19)10-21-13(23)9-20-15(24)22-14(12-7-4-8-12)11-5-2-1-3-6-11/h1-3,5-6,12,14H,4,7-10H2,(H,21,23)(H2,20,22,24)/t14-/m0/s1
InChIKeyRNWPXTOQQHTDJP-AWEZNQCLSA-N
XLogP2.51
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 51091250
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1-[(R)-cyclopropyl(phenyl)methyl]-3-[(4-fluorophenyl)methyl]urea
CID 41257535
1-[(S)-cyclopropyl(phenyl)methyl]-3-[(4-fluorophenyl)methyl]urea
CID 41257538
1-[cyclobutyl(phenyl)methyl]-3-(1-hydroxybutan-2-yl)urea
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3-[[(R)-cyclopentyl(phenyl)methyl]carbamoylamino]-N,N-dimethylpropanamide
CID 95663638
1-[cyclopropyl(phenyl)methyl]-3-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea
CID 46673701
N-[cyclobutyl(phenyl)methyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111538084
1-[cyclopentyl(phenyl)methyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110901396

Frequently Asked Questions

What is the IUPAC name of 2-[[(R)-cyclobutyl(phenyl)methyl]carbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[[(R)-cyclobutyl(phenyl)methyl]carbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide (CID 95312553) is 2-[[(R)-cyclobutyl(phenyl)methyl]carbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[[(R)-cyclobutyl(phenyl)methyl]carbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[[(R)-cyclobutyl(phenyl)methyl]carbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide is O=C(CNC(=O)N[C@@H](c1ccccc1)C1CCC1)NCC(F)(F)F.
What is the InChIKey of 2-[[(R)-cyclobutyl(phenyl)methyl]carbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is RNWPXTOQQHTDJP-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H20F3N3O2/c17-16(18,19)10-21-13(23)9-20-15(24)22-14(12-7-4-8-12)11-5-2-1-3-6-11/h1-3,5-6,12,14H,4,7-10H2,(H,21,23)(H2,20,22,24)/t14-/m0/s1.
What are the key properties of 2-[[(R)-cyclobutyl(phenyl)methyl]carbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[[(R)-cyclobutyl(phenyl)methyl]carbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 343.35 g/mol, XLogP of 2.51, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(R)-cyclobutyl(phenyl)methyl]carbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 95312553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).