N-cyclopropyl-N-(3,3-dimethylbutyl)-2-methylpropanamide

C13H25NO — CID 153456784

IUPACN-cyclopropyl-N-(3,3-dimethylbutyl)-2-methylpropanamide
SMILESCC(C)C(=O)N(CCC(C)(C)C)C1CC1
InChIInChI=1S/C13H25NO/c1-10(2)12(15)14(11-6-7-11)9-8-13(3,4)5/h10-11H,6-9H2,1-5H3
InChIKeyFBKLOGFRBRMOTG-UHFFFAOYSA-N
MW211.35 g/mol
LogP3.07
Rot. Bonds4

About N-cyclopropyl-N-(3,3-dimethylbutyl)-2-methylpropanamide

N-cyclopropyl-N-(3,3-dimethylbutyl)-2-methylpropanamide (PubChem CID 153456784) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is N-cyclopropyl-N-(3,3-dimethylbutyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(3,3-dimethylbutyl)-2-methylpropanamide
PubChem CID153456784
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC NameN-cyclopropyl-N-(3,3-dimethylbutyl)-2-methylpropanamide
SMILESCC(C)C(=O)N(CCC(C)(C)C)C1CC1
InChIInChI=1S/C13H25NO/c1-10(2)12(15)14(11-6-7-11)9-8-13(3,4)5/h10-11H,6-9H2,1-5H3
InChIKeyFBKLOGFRBRMOTG-UHFFFAOYSA-N
XLogP3.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-bromoethyl)-N-cyclopropyl-2-methylpropanamide
CID 80665638
N-(cyclopropylmethyl)-N-(3,3-dimethylbutyl)-2-methylpropanamide
CID 146435600
N-tert-butyl-N-cyclopropyl-2-methylpropanamide
CID 153456658
3-[cyclopropyl(2-methylpropanoyl)amino]-2-methylpropanoic acid
CID 82323712
3-[cyclooctyl(2-methylpropanoyl)amino]propanoic acid
CID 82323613
N-cyclopentyl-N-ethyl-2-methylpropanamide
CID 60738891
N-ethyl-2-methyl-N-piperidin-4-ylpropanamide
CID 23369986
N-tert-butyl-N-(cyclopropylmethyl)-2-methylpropanamide
CID 146435466
N-cyclopropyl-N-[(2S)-3,3-dimethylpentan-2-yl]-2-methylpropanamide
CID 170080558
tert-butyl 3-[2-fluoroethyl(2-methylpropanoyl)amino]pyrrolidine-1-carboxylate
CID 171505452
N-(1,1-dioxothiolan-3-yl)-2-methyl-N-propylpropanamide
CID 86977043
N-cyclopropyl-2-methyl-N-propan-2-ylpropanamide
CID 110872845

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(3,3-dimethylbutyl)-2-methylpropanamide?
The IUPAC name of N-cyclopropyl-N-(3,3-dimethylbutyl)-2-methylpropanamide (CID 153456784) is N-cyclopropyl-N-(3,3-dimethylbutyl)-2-methylpropanamide.
What is the SMILES notation for N-cyclopropyl-N-(3,3-dimethylbutyl)-2-methylpropanamide?
The canonical SMILES for N-cyclopropyl-N-(3,3-dimethylbutyl)-2-methylpropanamide is CC(C)C(=O)N(CCC(C)(C)C)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(3,3-dimethylbutyl)-2-methylpropanamide?
The InChIKey is FBKLOGFRBRMOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-10(2)12(15)14(11-6-7-11)9-8-13(3,4)5/h10-11H,6-9H2,1-5H3.
What are the key properties of N-cyclopropyl-N-(3,3-dimethylbutyl)-2-methylpropanamide?
N-cyclopropyl-N-(3,3-dimethylbutyl)-2-methylpropanamide has a molecular weight of 211.35 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(3,3-dimethylbutyl)-2-methylpropanamide is sourced from PubChem (CID 153456784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).