N-(3-amino-4-methoxybutyl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide

C14H26N2O2 — CID 106242862

IUPACN-(3-amino-4-methoxybutyl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide
SMILESCOCC(N)CCNC(=O)CC1CC2CCC1C2
InChIInChI=1S/C14H26N2O2/c1-18-9-13(15)4-5-16-14(17)8-12-7-10-2-3-11(12)6-10/h10-13H,2-9,15H2,1H3,(H,16,17)
InChIKeyLGZAOTGPTWNDSI-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.29
Rot. Bonds7

About N-(3-amino-4-methoxybutyl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide

N-(3-amino-4-methoxybutyl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide (PubChem CID 106242862) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is N-(3-amino-4-methoxybutyl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide.

Molecular Properties

Compound NameN-(3-amino-4-methoxybutyl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide
PubChem CID106242862
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC NameN-(3-amino-4-methoxybutyl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide
SMILESCOCC(N)CCNC(=O)CC1CC2CCC1C2
InChIInChI=1S/C14H26N2O2/c1-18-9-13(15)4-5-16-14(17)8-12-7-10-2-3-11(12)6-10/h10-13H,2-9,15H2,1H3,(H,16,17)
InChIKeyLGZAOTGPTWNDSI-UHFFFAOYSA-N
XLogP1.29
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bicyclo[2.2.1]heptanyl)-N-(3-bromo-4-methoxybutyl)acetamide
CID 106245316
2-(2-bicyclo[2.2.1]heptanyl)-N-(2-bromo-3-methoxypropyl)acetamide
CID 114310041
4-(2-bicyclo[2.2.1]heptanyl)-1-methoxybutan-2-amine
CID 79558016
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(2S)-1-methoxypropan-2-yl]acetamide
CID 98679471
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 98679474
2-(2-bicyclo[2.2.1]heptanyl)-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide
CID 103799359
2-(2-bicyclo[2.2.1]heptanyl)-N-butylacetamide
CID 78784658
2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(methylamino)ethyl]acetamide;hydrochloride
CID 119499875
N-(2-amino-4,4-dimethylpentyl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide
CID 107158527
5-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-2-methylpentanoic acid
CID 113440686
2-(2-bicyclo[2.2.1]heptanyl)-N-(1-hydroxy-4-methoxybutan-2-yl)acetamide
CID 114211440
1-(2-bicyclo[2.2.1]heptanyl)-3-methoxypropan-2-amine
CID 79563160

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxybutyl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide?
The IUPAC name of N-(3-amino-4-methoxybutyl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide (CID 106242862) is N-(3-amino-4-methoxybutyl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide.
What is the SMILES notation for N-(3-amino-4-methoxybutyl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide?
The canonical SMILES for N-(3-amino-4-methoxybutyl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide is COCC(N)CCNC(=O)CC1CC2CCC1C2.
What is the InChIKey of N-(3-amino-4-methoxybutyl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide?
The InChIKey is LGZAOTGPTWNDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-18-9-13(15)4-5-16-14(17)8-12-7-10-2-3-11(12)6-10/h10-13H,2-9,15H2,1H3,(H,16,17).
What are the key properties of N-(3-amino-4-methoxybutyl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide?
N-(3-amino-4-methoxybutyl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide has a molecular weight of 254.37 g/mol, XLogP of 1.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methoxybutyl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide is sourced from PubChem (CID 106242862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).