N-cyclopropyl-3,3-dimethyl-2-propan-2-ylbutanamide

C12H23NO — CID 58124184

IUPACN-cyclopropyl-3,3-dimethyl-2-propan-2-ylbutanamide
SMILESCC(C)C(C(=O)NC1CC1)C(C)(C)C
InChIInChI=1S/C12H23NO/c1-8(2)10(12(3,4)5)11(14)13-9-6-7-9/h8-10H,6-7H2,1-5H3,(H,13,14)
InChIKeyZZDZMRVVRGBCCZ-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.58
Rot. Bonds3

About N-cyclopropyl-3,3-dimethyl-2-propan-2-ylbutanamide

N-cyclopropyl-3,3-dimethyl-2-propan-2-ylbutanamide (PubChem CID 58124184) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N-cyclopropyl-3,3-dimethyl-2-propan-2-ylbutanamide.

Molecular Properties

Compound NameN-cyclopropyl-3,3-dimethyl-2-propan-2-ylbutanamide
PubChem CID58124184
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN-cyclopropyl-3,3-dimethyl-2-propan-2-ylbutanamide
SMILESCC(C)C(C(=O)NC1CC1)C(C)(C)C
InChIInChI=1S/C12H23NO/c1-8(2)10(12(3,4)5)11(14)13-9-6-7-9/h8-10H,6-7H2,1-5H3,(H,13,14)
InChIKeyZZDZMRVVRGBCCZ-UHFFFAOYSA-N
XLogP2.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3,3-dimethyl-2-propan-2-ylbutanamide?
The IUPAC name of N-cyclopropyl-3,3-dimethyl-2-propan-2-ylbutanamide (CID 58124184) is N-cyclopropyl-3,3-dimethyl-2-propan-2-ylbutanamide.
What is the SMILES notation for N-cyclopropyl-3,3-dimethyl-2-propan-2-ylbutanamide?
The canonical SMILES for N-cyclopropyl-3,3-dimethyl-2-propan-2-ylbutanamide is CC(C)C(C(=O)NC1CC1)C(C)(C)C.
What is the InChIKey of N-cyclopropyl-3,3-dimethyl-2-propan-2-ylbutanamide?
The InChIKey is ZZDZMRVVRGBCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-8(2)10(12(3,4)5)11(14)13-9-6-7-9/h8-10H,6-7H2,1-5H3,(H,13,14).
What are the key properties of N-cyclopropyl-3,3-dimethyl-2-propan-2-ylbutanamide?
N-cyclopropyl-3,3-dimethyl-2-propan-2-ylbutanamide has a molecular weight of 197.32 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3,3-dimethyl-2-propan-2-ylbutanamide is sourced from PubChem (CID 58124184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).