N-tert-butyl-4-cyclopentyl-2-[(2-methylcyclopropyl)methyl]butanamide

C18H33NO — CID 20790269

IUPACN-tert-butyl-4-cyclopentyl-2-[(2-methylcyclopropyl)methyl]butanamide
SMILESCC1CC1CC(CCC2CCCC2)C(=O)NC(C)(C)C
InChIInChI=1S/C18H33NO/c1-13-11-16(13)12-15(17(20)19-18(2,3)4)10-9-14-7-5-6-8-14/h13-16H,5-12H2,1-4H3,(H,19,20)
InChIKeyTXQIABXYVDMGEQ-UHFFFAOYSA-N
MW279.50 g/mol
LogP5.30
Rot. Bonds7

About N-tert-butyl-4-cyclopentyl-2-[(2-methylcyclopropyl)methyl]butanamide

N-tert-butyl-4-cyclopentyl-2-[(2-methylcyclopropyl)methyl]butanamide (PubChem CID 20790269) has the molecular formula C18H33NO and a molecular weight of 279.50 g/mol. Its IUPAC name is N-tert-butyl-4-cyclopentyl-2-[(2-methylcyclopropyl)methyl]butanamide.

Molecular Properties

Compound NameN-tert-butyl-4-cyclopentyl-2-[(2-methylcyclopropyl)methyl]butanamide
PubChem CID20790269
Molecular FormulaC18H33NO
Molecular Weight279.50 g/mol
Exact Mass279.26
IUPAC NameN-tert-butyl-4-cyclopentyl-2-[(2-methylcyclopropyl)methyl]butanamide
SMILESCC1CC1CC(CCC2CCCC2)C(=O)NC(C)(C)C
InChIInChI=1S/C18H33NO/c1-13-11-16(13)12-15(17(20)19-18(2,3)4)10-9-14-7-5-6-8-14/h13-16H,5-12H2,1-4H3,(H,19,20)
InChIKeyTXQIABXYVDMGEQ-UHFFFAOYSA-N
XLogP5.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity325

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.50
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(tert-butyl)cyclopentanecarboxamide
CID 4524458
N-tert-butylbicyclo[4.1.0]heptane-7-carboxamide
CID 2828233
N-(1-propylcyclopentyl)hexanamide
CID 2053684
2-butyl-N-[1-(trifluoromethyl)cyclopropyl]nonanamide
CID 146653085
N-[1-(difluoromethyl)cyclopropyl]-2-hexyl-2-methyloctanamide
CID 169584855
N-tert-butyl-2-methyloctanamide
CID 139573276
2-Ethyl-4-azaspiro[2.4]heptan-5-one
CID 12966312
3,5-Dimethyl-5-pentylpyrrolidin-2-one
CID 133106837
(2S,3S)-2-ethyl-4-azaspiro[2.4]heptan-5-one
CID 138967563
(2R,3S)-2-ethyl-4-azaspiro[2.4]heptan-5-one
CID 138967641
N-(1,1-dimethylpropyl)cyclopentanecarboxamide
CID 45841071
N-tert-butyl-3-cyclopentylpropanamide
CID 918366

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-cyclopentyl-2-[(2-methylcyclopropyl)methyl]butanamide?
The IUPAC name of N-tert-butyl-4-cyclopentyl-2-[(2-methylcyclopropyl)methyl]butanamide (CID 20790269) is N-tert-butyl-4-cyclopentyl-2-[(2-methylcyclopropyl)methyl]butanamide.
What is the SMILES notation for N-tert-butyl-4-cyclopentyl-2-[(2-methylcyclopropyl)methyl]butanamide?
The canonical SMILES for N-tert-butyl-4-cyclopentyl-2-[(2-methylcyclopropyl)methyl]butanamide is CC1CC1CC(CCC2CCCC2)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-4-cyclopentyl-2-[(2-methylcyclopropyl)methyl]butanamide?
The InChIKey is TXQIABXYVDMGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO/c1-13-11-16(13)12-15(17(20)19-18(2,3)4)10-9-14-7-5-6-8-14/h13-16H,5-12H2,1-4H3,(H,19,20).
What are the key properties of N-tert-butyl-4-cyclopentyl-2-[(2-methylcyclopropyl)methyl]butanamide?
N-tert-butyl-4-cyclopentyl-2-[(2-methylcyclopropyl)methyl]butanamide has a molecular weight of 279.50 g/mol, XLogP of 5.30, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-cyclopentyl-2-[(2-methylcyclopropyl)methyl]butanamide is sourced from PubChem (CID 20790269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).