3-cyclopentyl-N-(2,4,4-trimethylpentan-2-yl)propanamide

C16H31NO — CID 60520430

IUPAC3-cyclopentyl-N-(2,4,4-trimethylpentan-2-yl)propanamide
SMILESCC(C)(C)CC(C)(C)NC(=O)CCC1CCCC1
InChIInChI=1S/C16H31NO/c1-15(2,3)12-16(4,5)17-14(18)11-10-13-8-6-7-9-13/h13H,6-12H2,1-5H3,(H,17,18)
InChIKeyQVHHBNQFTMFMBD-UHFFFAOYSA-N
MW253.43 g/mol
LogP4.29
Rot. Bonds5

About 3-cyclopentyl-N-(2,4,4-trimethylpentan-2-yl)propanamide

3-cyclopentyl-N-(2,4,4-trimethylpentan-2-yl)propanamide (PubChem CID 60520430) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 3-cyclopentyl-N-(2,4,4-trimethylpentan-2-yl)propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-(2,4,4-trimethylpentan-2-yl)propanamide
PubChem CID60520430
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name3-cyclopentyl-N-(2,4,4-trimethylpentan-2-yl)propanamide
SMILESCC(C)(C)CC(C)(C)NC(=O)CCC1CCCC1
InChIInChI=1S/C16H31NO/c1-15(2,3)12-16(4,5)17-14(18)11-10-13-8-6-7-9-13/h13H,6-12H2,1-5H3,(H,17,18)
InChIKeyQVHHBNQFTMFMBD-UHFFFAOYSA-N
XLogP4.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-3-cyclopentylpropanamide;hydrochloride
CID 119260499
4-(3-cyclopentylpropanoylamino)-4-methylpentanoic acid
CID 62041962
N-(1-amino-2-methylpropan-2-yl)-3-cyclohexylpropanamide;hydrochloride
CID 119524224
3-cyclopentyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)propanamide
CID 103895541
2-piperidin-3-yl-N-(2,4,4-trimethylpentan-2-yl)acetamide
CID 62688845
N-(1-amino-2-cyclopropylpropan-2-yl)-3-cyclohexylpropanamide
CID 81487027
2-(4-aminocyclohexyl)-N-(2,4,4-trimethylpentan-2-yl)acetamide
CID 62782466
N-(1-amino-2-methylpropan-2-yl)-4-cyclohexylbutanamide;hydrochloride
CID 119523315
3-cyclopentyl-N-[(2-methylpropan-2-yl)oxy]propanamide
CID 82723159
N-(2-amino-2-methylpropyl)-3-cyclopentylpropanamide
CID 81425234
N-cycloheptyl-N'-(2,4,4-trimethylpentan-2-yl)oxamide
CID 108526259
N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-3-cyclopentylpropanamide
CID 61121156

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-(2,4,4-trimethylpentan-2-yl)propanamide?
The IUPAC name of 3-cyclopentyl-N-(2,4,4-trimethylpentan-2-yl)propanamide (CID 60520430) is 3-cyclopentyl-N-(2,4,4-trimethylpentan-2-yl)propanamide.
What is the SMILES notation for 3-cyclopentyl-N-(2,4,4-trimethylpentan-2-yl)propanamide?
The canonical SMILES for 3-cyclopentyl-N-(2,4,4-trimethylpentan-2-yl)propanamide is CC(C)(C)CC(C)(C)NC(=O)CCC1CCCC1.
What is the InChIKey of 3-cyclopentyl-N-(2,4,4-trimethylpentan-2-yl)propanamide?
The InChIKey is QVHHBNQFTMFMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-15(2,3)12-16(4,5)17-14(18)11-10-13-8-6-7-9-13/h13H,6-12H2,1-5H3,(H,17,18).
What are the key properties of 3-cyclopentyl-N-(2,4,4-trimethylpentan-2-yl)propanamide?
3-cyclopentyl-N-(2,4,4-trimethylpentan-2-yl)propanamide has a molecular weight of 253.43 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-(2,4,4-trimethylpentan-2-yl)propanamide is sourced from PubChem (CID 60520430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).