2-(diethylamino)-N-[(1R,2R,4S)-2-methyl-2-bicyclo[2.2.1]heptanyl]acetamide

C14H26N2O — CID 24832202

IUPAC2-(diethylamino)-N-[(1R,2R,4S)-2-methyl-2-bicyclo[2.2.1]heptanyl]acetamide
SMILESCCN(CC)CC(=O)N[C@]1(C)C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C14H26N2O/c1-4-16(5-2)10-13(17)15-14(3)9-11-6-7-12(14)8-11/h11-12H,4-10H2,1-3H3,(H,15,17)/t11-,12+,14+/m0/s1
InChIKeyMWHVELGUFYLCLL-OUCADQQQSA-N
MW238.37 g/mol
LogP2.02
Rot. Bonds5

About 2-(diethylamino)-N-[(1R,2R,4S)-2-methyl-2-bicyclo[2.2.1]heptanyl]acetamide

2-(diethylamino)-N-[(1R,2R,4S)-2-methyl-2-bicyclo[2.2.1]heptanyl]acetamide (PubChem CID 24832202) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-(diethylamino)-N-[(1R,2R,4S)-2-methyl-2-bicyclo[2.2.1]heptanyl]acetamide.

Molecular Properties

Compound Name2-(diethylamino)-N-[(1R,2R,4S)-2-methyl-2-bicyclo[2.2.1]heptanyl]acetamide
PubChem CID24832202
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name2-(diethylamino)-N-[(1R,2R,4S)-2-methyl-2-bicyclo[2.2.1]heptanyl]acetamide
SMILESCCN(CC)CC(=O)N[C@]1(C)C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C14H26N2O/c1-4-16(5-2)10-13(17)15-14(3)9-11-6-7-12(14)8-11/h11-12H,4-10H2,1-3H3,(H,15,17)/t11-,12+,14+/m0/s1
InChIKeyMWHVELGUFYLCLL-OUCADQQQSA-N
XLogP2.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(diethylamino)-N-[(1R,2R,4S)-2-methyl-2-bicyclo[2.2.1]heptanyl]acetamide with MolForge

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Related Compounds

2-(diethylamino)-N-[(1R,2R,4S)-2-methyl-2-bicyclo[2.2.1]heptanyl]acetamide;hydrochloride
CID 24832201
1-methyl-3-(2-methyl-2-bicyclo[2.2.1]heptanyl)-1-phenylurea
CID 13474871
N-(2-bicyclo[2.2.2]octanyl)-2-(diethylamino)acetamide
CID 24832141
(1S,4R)-2-methylbicyclo[2.2.1]heptan-2-ol
CID 134981260
2-(diethylamino)-N-(1,6-dimethylcyclohexa-2,4-dien-1-yl)acetamide
CID 141036068
2-(diethylamino)-N-[(2S,6S)-2,6-dimethylcyclohexyl]acetamide
CID 131855382
1-[(1S,2S,4R)-2-methyl-2-bicyclo[2.2.1]heptanyl]ethanone
CID 131122993
methyl 2-ethylbicyclo[2.2.1]heptane-2-carboxylate
CID 174441667
(1R,2R,4R)-N,N,2-trimethylbicyclo[2.2.1]heptane-2-carboxamide
CID 98511309
methyl (1R,2R,4S)-2-methylbicyclo[2.2.1]heptane-2-carboxylate
CID 6427528
2-[[2-(1-adamantylamino)-2-oxoethyl]-ethylamino]-N-(2-methoxyphenyl)acetamide
CID 9029544
2-[(2-methylbicyclo[2.2.1]heptane-2-carbonyl)amino]acetic acid
CID 166247680

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N-[(1R,2R,4S)-2-methyl-2-bicyclo[2.2.1]heptanyl]acetamide?
The IUPAC name of 2-(diethylamino)-N-[(1R,2R,4S)-2-methyl-2-bicyclo[2.2.1]heptanyl]acetamide (CID 24832202) is 2-(diethylamino)-N-[(1R,2R,4S)-2-methyl-2-bicyclo[2.2.1]heptanyl]acetamide.
What is the SMILES notation for 2-(diethylamino)-N-[(1R,2R,4S)-2-methyl-2-bicyclo[2.2.1]heptanyl]acetamide?
The canonical SMILES for 2-(diethylamino)-N-[(1R,2R,4S)-2-methyl-2-bicyclo[2.2.1]heptanyl]acetamide is CCN(CC)CC(=O)N[C@]1(C)C[C@H]2CC[C@@H]1C2.
What is the InChIKey of 2-(diethylamino)-N-[(1R,2R,4S)-2-methyl-2-bicyclo[2.2.1]heptanyl]acetamide?
The InChIKey is MWHVELGUFYLCLL-OUCADQQQSA-N. The full InChI is InChI=1S/C14H26N2O/c1-4-16(5-2)10-13(17)15-14(3)9-11-6-7-12(14)8-11/h11-12H,4-10H2,1-3H3,(H,15,17)/t11-,12+,14+/m0/s1.
What are the key properties of 2-(diethylamino)-N-[(1R,2R,4S)-2-methyl-2-bicyclo[2.2.1]heptanyl]acetamide?
2-(diethylamino)-N-[(1R,2R,4S)-2-methyl-2-bicyclo[2.2.1]heptanyl]acetamide has a molecular weight of 238.37 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N-[(1R,2R,4S)-2-methyl-2-bicyclo[2.2.1]heptanyl]acetamide is sourced from PubChem (CID 24832202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).