N-tert-butyl-2-(cyclopropylmethoxy)-4,4-dimethylpentanamide

C15H29NO2 — CID 20790227

IUPACN-tert-butyl-2-(cyclopropylmethoxy)-4,4-dimethylpentanamide
SMILESCC(C)(C)CC(OCC1CC1)C(=O)NC(C)(C)C
InChIInChI=1S/C15H29NO2/c1-14(2,3)9-12(18-10-11-7-8-11)13(17)16-15(4,5)6/h11-12H,7-10H2,1-6H3,(H,16,17)
InChIKeyVYSMBETWBFDPFY-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.13
Rot. Bonds5

About N-tert-butyl-2-(cyclopropylmethoxy)-4,4-dimethylpentanamide

N-tert-butyl-2-(cyclopropylmethoxy)-4,4-dimethylpentanamide (PubChem CID 20790227) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is N-tert-butyl-2-(cyclopropylmethoxy)-4,4-dimethylpentanamide.

Molecular Properties

Compound NameN-tert-butyl-2-(cyclopropylmethoxy)-4,4-dimethylpentanamide
PubChem CID20790227
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC NameN-tert-butyl-2-(cyclopropylmethoxy)-4,4-dimethylpentanamide
SMILESCC(C)(C)CC(OCC1CC1)C(=O)NC(C)(C)C
InChIInChI=1S/C15H29NO2/c1-14(2,3)9-12(18-10-11-7-8-11)13(17)16-15(4,5)6/h11-12H,7-10H2,1-6H3,(H,16,17)
InChIKeyVYSMBETWBFDPFY-UHFFFAOYSA-N
XLogP3.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1,1,3,3-Tetramethylbutyl)tetrahydro-2-furancarboxamide
CID 2963302
(2S)-N-(2,4,4-trimethylpentan-2-yl)oxolane-2-carboxamide
CID 2169098
N-tert-butyl-2-(cyclopentylmethoxy)-3-cyclopropylpropanamide
CID 20790213
N-tert-butyl-2-(cyclopentylmethoxy)-4,4-dimethylpentanamide
CID 20790215
N-tert-butyl-2-(cyclopropylmethoxy)-3,3-dimethylbutanamide
CID 20790225
N-tert-butyl-2-(cyclopropylmethoxy)-3-methylbutanamide
CID 20790226
N-tert-butyl-2-ethoxy-3-(2-methylcyclopropyl)propanamide
CID 20790234
N-tert-butyl-2-ethoxy-3,3-dimethylbutanamide
CID 20790235
N-tert-butyl-2-ethoxy-4,4-dimethylpentanamide
CID 20790237
N-tert-butyl-3-(2-methylcyclopropyl)-2-propoxypropanamide
CID 20790249
N-tert-butyl-3,3-dimethyl-2-propoxybutanamide
CID 20790250
N-tert-butyl-3-cyclopropyl-2-(cyclopropylmethoxy)propanamide
CID 20790262

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(cyclopropylmethoxy)-4,4-dimethylpentanamide?
The IUPAC name of N-tert-butyl-2-(cyclopropylmethoxy)-4,4-dimethylpentanamide (CID 20790227) is N-tert-butyl-2-(cyclopropylmethoxy)-4,4-dimethylpentanamide.
What is the SMILES notation for N-tert-butyl-2-(cyclopropylmethoxy)-4,4-dimethylpentanamide?
The canonical SMILES for N-tert-butyl-2-(cyclopropylmethoxy)-4,4-dimethylpentanamide is CC(C)(C)CC(OCC1CC1)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-(cyclopropylmethoxy)-4,4-dimethylpentanamide?
The InChIKey is VYSMBETWBFDPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-14(2,3)9-12(18-10-11-7-8-11)13(17)16-15(4,5)6/h11-12H,7-10H2,1-6H3,(H,16,17).
What are the key properties of N-tert-butyl-2-(cyclopropylmethoxy)-4,4-dimethylpentanamide?
N-tert-butyl-2-(cyclopropylmethoxy)-4,4-dimethylpentanamide has a molecular weight of 255.40 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(cyclopropylmethoxy)-4,4-dimethylpentanamide is sourced from PubChem (CID 20790227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).