N-[(2R)-4-methyl-4-phenylpentan-2-yl]cyclopropanecarboxamide

C16H23NO — CID 95376601

IUPACN-[(2R)-4-methyl-4-phenylpentan-2-yl]cyclopropanecarboxamide
SMILESC[C@H](CC(C)(C)c1ccccc1)NC(=O)C1CC1
InChIInChI=1S/C16H23NO/c1-12(17-15(18)13-9-10-13)11-16(2,3)14-7-5-4-6-8-14/h4-8,12-13H,9-11H2,1-3H3,(H,17,18)/t12-/m1/s1
InChIKeyYXUFXYUAUNOONG-GFCCVEGCSA-N
MW245.37 g/mol
LogP3.27
Rot. Bonds5

About N-[(2R)-4-methyl-4-phenylpentan-2-yl]cyclopropanecarboxamide

N-[(2R)-4-methyl-4-phenylpentan-2-yl]cyclopropanecarboxamide (PubChem CID 95376601) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is N-[(2R)-4-methyl-4-phenylpentan-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(2R)-4-methyl-4-phenylpentan-2-yl]cyclopropanecarboxamide
PubChem CID95376601
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC NameN-[(2R)-4-methyl-4-phenylpentan-2-yl]cyclopropanecarboxamide
SMILESC[C@H](CC(C)(C)c1ccccc1)NC(=O)C1CC1
InChIInChI=1S/C16H23NO/c1-12(17-15(18)13-9-10-13)11-16(2,3)14-7-5-4-6-8-14/h4-8,12-13H,9-11H2,1-3H3,(H,17,18)/t12-/m1/s1
InChIKeyYXUFXYUAUNOONG-GFCCVEGCSA-N
XLogP3.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-(cyclopropanecarbonylamino)-N-(4-methyl-4-phenylpentan-2-yl)thiophene-2-carboxamide
CID 86848327
2-(methylamino)-N-(4-methyl-4-phenylpentan-2-yl)acetamide
CID 119755775
N-(4-methyl-4-phenylpentan-2-yl)-2-(1-methylpiperidin-4-yl)acetamide
CID 50875407
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-methyl-4-phenylpentan-2-yl)acetamide;hydrochloride
CID 119755784
N-[(2S)-4-phenylbutan-2-yl]cyclopropanecarboxamide
CID 844321
2-methyl-3-(methylamino)-N-(4-methyl-4-phenylpentan-2-yl)propanamide
CID 119755787
2-amino-N-(4-methyl-4-phenylpentan-2-yl)-2-(oxan-4-yl)acetamide
CID 120790392
(3S)-1-(4-chlorophenyl)sulfonyl-N-[(2S)-4-methyl-4-phenylpentan-2-yl]piperidine-3-carboxamide
CID 125058828
(2R,3S)-2-methyl-N-(4-methyl-4-phenylpentan-2-yl)morpholine-3-carboxamide
CID 120928521
N-[(2S)-1-phenylpropan-2-yl]-4-propan-2-ylcyclohexane-1-carboxamide
CID 59422599
3-[(4-phenylcyclohexanecarbonyl)amino]butanoic acid
CID 119221631
(2S)-2-amino-N-(4-methyl-4-phenylpentan-2-yl)-4-methylsulfanylbutanamide;hydrochloride
CID 119307411

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-4-methyl-4-phenylpentan-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[(2R)-4-methyl-4-phenylpentan-2-yl]cyclopropanecarboxamide (CID 95376601) is N-[(2R)-4-methyl-4-phenylpentan-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(2R)-4-methyl-4-phenylpentan-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[(2R)-4-methyl-4-phenylpentan-2-yl]cyclopropanecarboxamide is C[C@H](CC(C)(C)c1ccccc1)NC(=O)C1CC1.
What is the InChIKey of N-[(2R)-4-methyl-4-phenylpentan-2-yl]cyclopropanecarboxamide?
The InChIKey is YXUFXYUAUNOONG-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H23NO/c1-12(17-15(18)13-9-10-13)11-16(2,3)14-7-5-4-6-8-14/h4-8,12-13H,9-11H2,1-3H3,(H,17,18)/t12-/m1/s1.
What are the key properties of N-[(2R)-4-methyl-4-phenylpentan-2-yl]cyclopropanecarboxamide?
N-[(2R)-4-methyl-4-phenylpentan-2-yl]cyclopropanecarboxamide has a molecular weight of 245.37 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-4-methyl-4-phenylpentan-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 95376601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).