N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methoxy-N,2-dimethylpropanamide

C14H25NO2 — CID 103029139

IUPACN-(2-bicyclo[2.2.1]heptanylmethyl)-2-methoxy-N,2-dimethylpropanamide
SMILESCOC(C)(C)C(=O)N(C)CC1CC2CCC1C2
InChIInChI=1S/C14H25NO2/c1-14(2,17-4)13(16)15(3)9-12-8-10-5-6-11(12)7-10/h10-12H,5-9H2,1-4H3
InChIKeyCIEXDQARQHOCIN-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.31
Rot. Bonds4

About N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methoxy-N,2-dimethylpropanamide

N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methoxy-N,2-dimethylpropanamide (PubChem CID 103029139) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methoxy-N,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanylmethyl)-2-methoxy-N,2-dimethylpropanamide
PubChem CID103029139
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC NameN-(2-bicyclo[2.2.1]heptanylmethyl)-2-methoxy-N,2-dimethylpropanamide
SMILESCOC(C)(C)C(=O)N(C)CC1CC2CCC1C2
InChIInChI=1S/C14H25NO2/c1-14(2,17-4)13(16)15(3)9-12-8-10-5-6-11(12)7-10/h10-12H,5-9H2,1-4H3
InChIKeyCIEXDQARQHOCIN-UHFFFAOYSA-N
XLogP2.31
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-3-oxopropanoic acid
CID 63685758
2-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N,4,4-trimethylpentanamide
CID 107472164
4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methoxy-N-methylbutanamide
CID 103155894
methyl 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]propanoate
CID 63684175
methyl 2-amino-4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-methylbutanoate
CID 63682513
2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylbutanamide
CID 63683674
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-bromo-N-methylbutanamide
CID 63681740
1-(2-bicyclo[2.2.1]heptanylmethyl)-3-cyclobutyl-1-methylurea
CID 116656057
N-(2-bicyclo[2.2.1]heptanylmethyl)-5-hydroxy-N-methylpentanamide
CID 79199997
tert-butyl 2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]propanoate
CID 66339070
1-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylcyclobutane-1-carboxamide
CID 81169750
(2R)-2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylpentanamide
CID 107569736

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methoxy-N,2-dimethylpropanamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methoxy-N,2-dimethylpropanamide (CID 103029139) is N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methoxy-N,2-dimethylpropanamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methoxy-N,2-dimethylpropanamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methoxy-N,2-dimethylpropanamide is COC(C)(C)C(=O)N(C)CC1CC2CCC1C2.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methoxy-N,2-dimethylpropanamide?
The InChIKey is CIEXDQARQHOCIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-14(2,17-4)13(16)15(3)9-12-8-10-5-6-11(12)7-10/h10-12H,5-9H2,1-4H3.
What are the key properties of N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methoxy-N,2-dimethylpropanamide?
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methoxy-N,2-dimethylpropanamide has a molecular weight of 239.36 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methoxy-N,2-dimethylpropanamide is sourced from PubChem (CID 103029139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).