N-tert-butyl-2-(cyclopentylmethyl)-4-cyclopropylbutanamide

C17H31NO — CID 20790218

IUPACN-tert-butyl-2-(cyclopentylmethyl)-4-cyclopropylbutanamide
SMILESCC(C)(C)NC(=O)C(CCC1CC1)CC1CCCC1
InChIInChI=1S/C17H31NO/c1-17(2,3)18-16(19)15(11-10-13-8-9-13)12-14-6-4-5-7-14/h13-15H,4-12H2,1-3H3,(H,18,19)
InChIKeyTXEFUOKBCCRBJP-UHFFFAOYSA-N
MW265.44 g/mol
LogP4.29
Rot. Bonds6

About N-tert-butyl-2-(cyclopentylmethyl)-4-cyclopropylbutanamide

N-tert-butyl-2-(cyclopentylmethyl)-4-cyclopropylbutanamide (PubChem CID 20790218) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is N-tert-butyl-2-(cyclopentylmethyl)-4-cyclopropylbutanamide.

Molecular Properties

Compound NameN-tert-butyl-2-(cyclopentylmethyl)-4-cyclopropylbutanamide
PubChem CID20790218
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC NameN-tert-butyl-2-(cyclopentylmethyl)-4-cyclopropylbutanamide
SMILESCC(C)(C)NC(=O)C(CCC1CC1)CC1CCCC1
InChIInChI=1S/C17H31NO/c1-17(2,3)18-16(19)15(11-10-13-8-9-13)12-14-6-4-5-7-14/h13-15H,4-12H2,1-3H3,(H,18,19)
InChIKeyTXEFUOKBCCRBJP-UHFFFAOYSA-N
XLogP4.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(cyclopentylmethyl)-4-cyclopropylbutanamide?
The IUPAC name of N-tert-butyl-2-(cyclopentylmethyl)-4-cyclopropylbutanamide (CID 20790218) is N-tert-butyl-2-(cyclopentylmethyl)-4-cyclopropylbutanamide.
What is the SMILES notation for N-tert-butyl-2-(cyclopentylmethyl)-4-cyclopropylbutanamide?
The canonical SMILES for N-tert-butyl-2-(cyclopentylmethyl)-4-cyclopropylbutanamide is CC(C)(C)NC(=O)C(CCC1CC1)CC1CCCC1.
What is the InChIKey of N-tert-butyl-2-(cyclopentylmethyl)-4-cyclopropylbutanamide?
The InChIKey is TXEFUOKBCCRBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-17(2,3)18-16(19)15(11-10-13-8-9-13)12-14-6-4-5-7-14/h13-15H,4-12H2,1-3H3,(H,18,19).
What are the key properties of N-tert-butyl-2-(cyclopentylmethyl)-4-cyclopropylbutanamide?
N-tert-butyl-2-(cyclopentylmethyl)-4-cyclopropylbutanamide has a molecular weight of 265.44 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(cyclopentylmethyl)-4-cyclopropylbutanamide is sourced from PubChem (CID 20790218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).