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

C14H27NO — CID 146435600

IUPACN-(cyclopropylmethyl)-N-(3,3-dimethylbutyl)-2-methylpropanamide
SMILESCC(C)C(=O)N(CCC(C)(C)C)CC1CC1
InChIInChI=1S/C14H27NO/c1-11(2)13(16)15(10-12-6-7-12)9-8-14(3,4)5/h11-12H,6-10H2,1-5H3
InChIKeyOJBXKKNPPIPXOE-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.32
Rot. Bonds5

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

N-(cyclopropylmethyl)-N-(3,3-dimethylbutyl)-2-methylpropanamide (PubChem CID 146435600) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-(3,3-dimethylbutyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-(3,3-dimethylbutyl)-2-methylpropanamide
PubChem CID146435600
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC NameN-(cyclopropylmethyl)-N-(3,3-dimethylbutyl)-2-methylpropanamide
SMILESCC(C)C(=O)N(CCC(C)(C)C)CC1CC1
InChIInChI=1S/C14H27NO/c1-11(2)13(16)15(10-12-6-7-12)9-8-14(3,4)5/h11-12H,6-10H2,1-5H3
InChIKeyOJBXKKNPPIPXOE-UHFFFAOYSA-N
XLogP3.32
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-(3,3-dimethylbutyl)-2-methylpropanamide?
The IUPAC name of N-(cyclopropylmethyl)-N-(3,3-dimethylbutyl)-2-methylpropanamide (CID 146435600) is N-(cyclopropylmethyl)-N-(3,3-dimethylbutyl)-2-methylpropanamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-(3,3-dimethylbutyl)-2-methylpropanamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-(3,3-dimethylbutyl)-2-methylpropanamide is CC(C)C(=O)N(CCC(C)(C)C)CC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-N-(3,3-dimethylbutyl)-2-methylpropanamide?
The InChIKey is OJBXKKNPPIPXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-11(2)13(16)15(10-12-6-7-12)9-8-14(3,4)5/h11-12H,6-10H2,1-5H3.
What are the key properties of N-(cyclopropylmethyl)-N-(3,3-dimethylbutyl)-2-methylpropanamide?
N-(cyclopropylmethyl)-N-(3,3-dimethylbutyl)-2-methylpropanamide has a molecular weight of 225.38 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-(3,3-dimethylbutyl)-2-methylpropanamide is sourced from PubChem (CID 146435600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).