N-(4-methylcyclohexyl)-2-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]acetamide

C20H30N2O2 — CID 100849239

IUPACN-(4-methylcyclohexyl)-2-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]acetamide
SMILESCC1CCC(NC(=O)CN2C[C@@H](C)O[C@@H](c3ccccc3)C2)CC1
InChIInChI=1S/C20H30N2O2/c1-15-8-10-18(11-9-15)21-20(23)14-22-12-16(2)24-19(13-22)17-6-4-3-5-7-17/h3-7,15-16,18-19H,8-14H2,1-2H3,(H,21,23)/t15?,16-,18?,19-/m1/s1
InChIKeyZQRQKJSPEMSDCS-JGJLBUBWSA-N
MW330.47 g/mol
LogP3.14
Rot. Bonds4

About N-(4-methylcyclohexyl)-2-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]acetamide

N-(4-methylcyclohexyl)-2-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]acetamide (PubChem CID 100849239) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)-2-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]acetamide.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)-2-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]acetamide
PubChem CID100849239
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC NameN-(4-methylcyclohexyl)-2-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]acetamide
SMILESCC1CCC(NC(=O)CN2C[C@@H](C)O[C@@H](c3ccccc3)C2)CC1
InChIInChI=1S/C20H30N2O2/c1-15-8-10-18(11-9-15)21-20(23)14-22-12-16(2)24-19(13-22)17-6-4-3-5-7-17/h3-7,15-16,18-19H,8-14H2,1-2H3,(H,21,23)/t15?,16-,18?,19-/m1/s1
InChIKeyZQRQKJSPEMSDCS-JGJLBUBWSA-N
XLogP3.14
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-3-[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]propanamide
CID 94823090
2-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]acetic acid
CID 100637021
3-[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]propanoic acid
CID 125130229
N-cyclooctyl-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetamide
CID 2446989
2-[2-(aminomethyl)-6-methylmorpholin-4-yl]-N-cyclopropylacetamide
CID 102938931
N-cyclopropyl-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]acetamide
CID 27444185
N-(cyclopropylcarbamoyl)-2-(2,6-dimethylmorpholin-4-yl)acetamide
CID 17421099
N-(4-methylcyclohexyl)-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 7043085
N-(4-methylcyclohexyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 39746892
N-(1-benzylpiperidin-4-yl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetamide
CID 8542398
N'-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetyl]benzohydrazide
CID 8898901
N-cyclopropyl-2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]acetamide
CID 79410043

Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexyl)-2-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]acetamide?
The IUPAC name of N-(4-methylcyclohexyl)-2-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]acetamide (CID 100849239) is N-(4-methylcyclohexyl)-2-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]acetamide.
What is the SMILES notation for N-(4-methylcyclohexyl)-2-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]acetamide?
The canonical SMILES for N-(4-methylcyclohexyl)-2-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]acetamide is CC1CCC(NC(=O)CN2C[C@@H](C)O[C@@H](c3ccccc3)C2)CC1.
What is the InChIKey of N-(4-methylcyclohexyl)-2-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]acetamide?
The InChIKey is ZQRQKJSPEMSDCS-JGJLBUBWSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-15-8-10-18(11-9-15)21-20(23)14-22-12-16(2)24-19(13-22)17-6-4-3-5-7-17/h3-7,15-16,18-19H,8-14H2,1-2H3,(H,21,23)/t15?,16-,18?,19-/m1/s1.
What are the key properties of N-(4-methylcyclohexyl)-2-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]acetamide?
N-(4-methylcyclohexyl)-2-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]acetamide has a molecular weight of 330.47 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexyl)-2-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]acetamide is sourced from PubChem (CID 100849239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).