N-tert-butyl-4-cyclopropyl-2-(cyclopropylmethyl)butanamide

C15H27NO — CID 20790273

IUPACN-tert-butyl-4-cyclopropyl-2-(cyclopropylmethyl)butanamide
SMILESCC(C)(C)NC(=O)C(CCC1CC1)CC1CC1
InChIInChI=1S/C15H27NO/c1-15(2,3)16-14(17)13(10-12-6-7-12)9-8-11-4-5-11/h11-13H,4-10H2,1-3H3,(H,16,17)
InChIKeyNROHWDDNECIORV-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.51
Rot. Bonds6

About N-tert-butyl-4-cyclopropyl-2-(cyclopropylmethyl)butanamide

N-tert-butyl-4-cyclopropyl-2-(cyclopropylmethyl)butanamide (PubChem CID 20790273) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is N-tert-butyl-4-cyclopropyl-2-(cyclopropylmethyl)butanamide.

Molecular Properties

Compound NameN-tert-butyl-4-cyclopropyl-2-(cyclopropylmethyl)butanamide
PubChem CID20790273
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC NameN-tert-butyl-4-cyclopropyl-2-(cyclopropylmethyl)butanamide
SMILESCC(C)(C)NC(=O)C(CCC1CC1)CC1CC1
InChIInChI=1S/C15H27NO/c1-15(2,3)16-14(17)13(10-12-6-7-12)9-8-11-4-5-11/h11-13H,4-10H2,1-3H3,(H,16,17)
InChIKeyNROHWDDNECIORV-UHFFFAOYSA-N
XLogP3.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-cyclopropyl-2-(cyclopropylmethyl)butanamide?
The IUPAC name of N-tert-butyl-4-cyclopropyl-2-(cyclopropylmethyl)butanamide (CID 20790273) is N-tert-butyl-4-cyclopropyl-2-(cyclopropylmethyl)butanamide.
What is the SMILES notation for N-tert-butyl-4-cyclopropyl-2-(cyclopropylmethyl)butanamide?
The canonical SMILES for N-tert-butyl-4-cyclopropyl-2-(cyclopropylmethyl)butanamide is CC(C)(C)NC(=O)C(CCC1CC1)CC1CC1.
What is the InChIKey of N-tert-butyl-4-cyclopropyl-2-(cyclopropylmethyl)butanamide?
The InChIKey is NROHWDDNECIORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-15(2,3)16-14(17)13(10-12-6-7-12)9-8-11-4-5-11/h11-13H,4-10H2,1-3H3,(H,16,17).
What are the key properties of N-tert-butyl-4-cyclopropyl-2-(cyclopropylmethyl)butanamide?
N-tert-butyl-4-cyclopropyl-2-(cyclopropylmethyl)butanamide has a molecular weight of 237.39 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-cyclopropyl-2-(cyclopropylmethyl)butanamide is sourced from PubChem (CID 20790273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).