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

C16H29NO — CID 20790272

IUPACN-tert-butyl-4-cyclopropyl-2-[(2-methylcyclopropyl)methyl]butanamide
SMILESCC1CC1CC(CCC1CC1)C(=O)NC(C)(C)C
InChIInChI=1S/C16H29NO/c1-11-9-14(11)10-13(8-7-12-5-6-12)15(18)17-16(2,3)4/h11-14H,5-10H2,1-4H3,(H,17,18)
InChIKeyHIURDJYGWDVFQG-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.75
Rot. Bonds6

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

N-tert-butyl-4-cyclopropyl-2-[(2-methylcyclopropyl)methyl]butanamide (PubChem CID 20790272) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is N-tert-butyl-4-cyclopropyl-2-[(2-methylcyclopropyl)methyl]butanamide.

Molecular Properties

Compound NameN-tert-butyl-4-cyclopropyl-2-[(2-methylcyclopropyl)methyl]butanamide
PubChem CID20790272
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC NameN-tert-butyl-4-cyclopropyl-2-[(2-methylcyclopropyl)methyl]butanamide
SMILESCC1CC1CC(CCC1CC1)C(=O)NC(C)(C)C
InChIInChI=1S/C16H29NO/c1-11-9-14(11)10-13(8-7-12-5-6-12)15(18)17-16(2,3)4/h11-14H,5-10H2,1-4H3,(H,17,18)
InChIKeyHIURDJYGWDVFQG-UHFFFAOYSA-N
XLogP3.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.75
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-[(2-methylcyclopropyl)methyl]butanamide?
The IUPAC name of N-tert-butyl-4-cyclopropyl-2-[(2-methylcyclopropyl)methyl]butanamide (CID 20790272) is N-tert-butyl-4-cyclopropyl-2-[(2-methylcyclopropyl)methyl]butanamide.
What is the SMILES notation for N-tert-butyl-4-cyclopropyl-2-[(2-methylcyclopropyl)methyl]butanamide?
The canonical SMILES for N-tert-butyl-4-cyclopropyl-2-[(2-methylcyclopropyl)methyl]butanamide is CC1CC1CC(CCC1CC1)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-4-cyclopropyl-2-[(2-methylcyclopropyl)methyl]butanamide?
The InChIKey is HIURDJYGWDVFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-11-9-14(11)10-13(8-7-12-5-6-12)15(18)17-16(2,3)4/h11-14H,5-10H2,1-4H3,(H,17,18).
What are the key properties of N-tert-butyl-4-cyclopropyl-2-[(2-methylcyclopropyl)methyl]butanamide?
N-tert-butyl-4-cyclopropyl-2-[(2-methylcyclopropyl)methyl]butanamide has a molecular weight of 251.41 g/mol, XLogP of 3.75, 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-[(2-methylcyclopropyl)methyl]butanamide is sourced from PubChem (CID 20790272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).