(1R,3R,7R)-N-ethyl-3-methyl-7-propan-2-ylcyclooctane-1-carboxamide

C15H29NO — CID 166985649

IUPAC(1R,3R,7R)-N-ethyl-3-methyl-7-propan-2-ylcyclooctane-1-carboxamide
SMILESCCNC(=O)[C@@H]1C[C@H](C)CCC[C@@H](C(C)C)C1
InChIInChI=1S/C15H29NO/c1-5-16-15(17)14-9-12(4)7-6-8-13(10-14)11(2)3/h11-14H,5-10H2,1-4H3,(H,16,17)/t12-,13-,14-/m1/s1
InChIKeyNUTXGBMBMWYFSD-MGPQQGTHSA-N
MW239.40 g/mol
LogP3.61
Rot. Bonds3

About (1R,3R,7R)-N-ethyl-3-methyl-7-propan-2-ylcyclooctane-1-carboxamide

(1R,3R,7R)-N-ethyl-3-methyl-7-propan-2-ylcyclooctane-1-carboxamide (PubChem CID 166985649) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is (1R,3R,7R)-N-ethyl-3-methyl-7-propan-2-ylcyclooctane-1-carboxamide.

Molecular Properties

Compound Name(1R,3R,7R)-N-ethyl-3-methyl-7-propan-2-ylcyclooctane-1-carboxamide
PubChem CID166985649
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name(1R,3R,7R)-N-ethyl-3-methyl-7-propan-2-ylcyclooctane-1-carboxamide
SMILESCCNC(=O)[C@@H]1C[C@H](C)CCC[C@@H](C(C)C)C1
InChIInChI=1S/C15H29NO/c1-5-16-15(17)14-9-12(4)7-6-8-13(10-14)11(2)3/h11-14H,5-10H2,1-4H3,(H,16,17)/t12-,13-,14-/m1/s1
InChIKeyNUTXGBMBMWYFSD-MGPQQGTHSA-N
XLogP3.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1R,3R,7R)-N-ethyl-3-methyl-7-propan-2-ylcyclooctane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-1-methyl-3-propan-2-ylcyclohexane
CID 154523132
(1R)-3-propan-2-ylcyclohexane-1-carboxylic acid
CID 59877468
(1R,2S,5R)-N-ethyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 7168187
trans-(1R,2S)-N-ethyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 89464561
(1R)-N-ethyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 90384157
N-(cyanomethyl)-3-methylcyclohexane-1-carboxamide
CID 130747164
N-[(2S)-1-aminopropan-2-yl]-3-methylcyclohexane-1-carboxamide;hydrochloride
CID 131134215
3,5-dimethyl-N-propan-2-ylcyclohexane-1-carboxamide
CID 127783603
(3S)-5-(ethylcarbamoyl)cyclohexane-1,3-dicarboxylic acid
CID 70985200
(2S)-2-[(1S,3R)-3-methylcyclohexyl]propanoic acid
CID 178159874
N-ethyl-4-(3-methylcycloheptanecarbonyl)benzamide
CID 177177515
2-(ethylamino)-2-methyl-1-(3-methylcyclohexyl)propan-1-one
CID 116566074

Frequently Asked Questions

What is the IUPAC name of (1R,3R,7R)-N-ethyl-3-methyl-7-propan-2-ylcyclooctane-1-carboxamide?
The IUPAC name of (1R,3R,7R)-N-ethyl-3-methyl-7-propan-2-ylcyclooctane-1-carboxamide (CID 166985649) is (1R,3R,7R)-N-ethyl-3-methyl-7-propan-2-ylcyclooctane-1-carboxamide.
What is the SMILES notation for (1R,3R,7R)-N-ethyl-3-methyl-7-propan-2-ylcyclooctane-1-carboxamide?
The canonical SMILES for (1R,3R,7R)-N-ethyl-3-methyl-7-propan-2-ylcyclooctane-1-carboxamide is CCNC(=O)[C@@H]1C[C@H](C)CCC[C@@H](C(C)C)C1.
What is the InChIKey of (1R,3R,7R)-N-ethyl-3-methyl-7-propan-2-ylcyclooctane-1-carboxamide?
The InChIKey is NUTXGBMBMWYFSD-MGPQQGTHSA-N. The full InChI is InChI=1S/C15H29NO/c1-5-16-15(17)14-9-12(4)7-6-8-13(10-14)11(2)3/h11-14H,5-10H2,1-4H3,(H,16,17)/t12-,13-,14-/m1/s1.
What are the key properties of (1R,3R,7R)-N-ethyl-3-methyl-7-propan-2-ylcyclooctane-1-carboxamide?
(1R,3R,7R)-N-ethyl-3-methyl-7-propan-2-ylcyclooctane-1-carboxamide has a molecular weight of 239.40 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,7R)-N-ethyl-3-methyl-7-propan-2-ylcyclooctane-1-carboxamide is sourced from PubChem (CID 166985649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).