N-cyclopropyl-2,2-dimethyl-N-(6-oxohexyl)propanamide

C14H25NO2 — CID 71579648

IUPACN-cyclopropyl-2,2-dimethyl-N-(6-oxohexyl)propanamide
SMILESCC(C)(C)C(=O)N(CCCCCC=O)C1CC1
InChIInChI=1S/C14H25NO2/c1-14(2,3)13(17)15(12-8-9-12)10-6-4-5-7-11-16/h11-12H,4-10H2,1-3H3
InChIKeySPGYWQALRVGZRY-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.78
Rot. Bonds7

About N-cyclopropyl-2,2-dimethyl-N-(6-oxohexyl)propanamide

N-cyclopropyl-2,2-dimethyl-N-(6-oxohexyl)propanamide (PubChem CID 71579648) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is N-cyclopropyl-2,2-dimethyl-N-(6-oxohexyl)propanamide.

Molecular Properties

Compound NameN-cyclopropyl-2,2-dimethyl-N-(6-oxohexyl)propanamide
PubChem CID71579648
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC NameN-cyclopropyl-2,2-dimethyl-N-(6-oxohexyl)propanamide
SMILESCC(C)(C)C(=O)N(CCCCCC=O)C1CC1
InChIInChI=1S/C14H25NO2/c1-14(2,3)13(17)15(12-8-9-12)10-6-4-5-7-11-16/h11-12H,4-10H2,1-3H3
InChIKeySPGYWQALRVGZRY-UHFFFAOYSA-N
XLogP2.78
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-6-oxohexanamide
CID 10899353
N-(1,6-dioxohexan-3-yl)-N,2-dimethylpropanamide
CID 88885281
6-oxo-N,N-di(propan-2-yl)hexanamide
CID 89227332
N-methyl-8-oxo-N-propan-2-yloctanamide
CID 91019571
N,4-dimethyl-N-[(2S)-1-oxohexan-2-yl]pentanamide
CID 134531758
N-methyl-N-(6-oxohexyl)propanamide
CID 137412946
N-cyclohexyl-2,2-dimethyl-N-(6-oxohexyl)propanamide
CID 71579562
N-cyclohexyl-N-(6-oxohexyl)acetamide
CID 71579563
N-cyclohexyl-3,3-dimethyl-N-(6-oxohexyl)butanamide
CID 71579564
N-cyclobutyl-2,2-dimethyl-N-(6-oxohexyl)propanamide
CID 71579649
N-cyclopentyl-2,2-dimethyl-N-(6-oxohexyl)propanamide
CID 71579650
N-cycloheptyl-2,2-dimethyl-N-(6-oxohexyl)propanamide
CID 71579651

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2,2-dimethyl-N-(6-oxohexyl)propanamide?
The IUPAC name of N-cyclopropyl-2,2-dimethyl-N-(6-oxohexyl)propanamide (CID 71579648) is N-cyclopropyl-2,2-dimethyl-N-(6-oxohexyl)propanamide.
What is the SMILES notation for N-cyclopropyl-2,2-dimethyl-N-(6-oxohexyl)propanamide?
The canonical SMILES for N-cyclopropyl-2,2-dimethyl-N-(6-oxohexyl)propanamide is CC(C)(C)C(=O)N(CCCCCC=O)C1CC1.
What is the InChIKey of N-cyclopropyl-2,2-dimethyl-N-(6-oxohexyl)propanamide?
The InChIKey is SPGYWQALRVGZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-14(2,3)13(17)15(12-8-9-12)10-6-4-5-7-11-16/h11-12H,4-10H2,1-3H3.
What are the key properties of N-cyclopropyl-2,2-dimethyl-N-(6-oxohexyl)propanamide?
N-cyclopropyl-2,2-dimethyl-N-(6-oxohexyl)propanamide has a molecular weight of 239.36 g/mol, XLogP of 2.78, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2,2-dimethyl-N-(6-oxohexyl)propanamide is sourced from PubChem (CID 71579648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).