1-(dimethylamino)-N-(2-methyloxan-4-yl)-4-phenylcyclohexane-1-carboxamide

C21H32N2O2 — CID 122153320

IUPAC1-(dimethylamino)-N-(2-methyloxan-4-yl)-4-phenylcyclohexane-1-carboxamide
SMILESCC1CC(NC(=O)C2(N(C)C)CCC(c3ccccc3)CC2)CCO1
InChIInChI=1S/C21H32N2O2/c1-16-15-19(11-14-25-16)22-20(24)21(23(2)3)12-9-18(10-13-21)17-7-5-4-6-8-17/h4-8,16,18-19H,9-15H2,1-3H3,(H,22,24)
InChIKeyYUJPAIBIFWOWTE-UHFFFAOYSA-N
MW344.50 g/mol
LogP3.33
Rot. Bonds4

About 1-(dimethylamino)-N-(2-methyloxan-4-yl)-4-phenylcyclohexane-1-carboxamide

1-(dimethylamino)-N-(2-methyloxan-4-yl)-4-phenylcyclohexane-1-carboxamide (PubChem CID 122153320) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 1-(dimethylamino)-N-(2-methyloxan-4-yl)-4-phenylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(dimethylamino)-N-(2-methyloxan-4-yl)-4-phenylcyclohexane-1-carboxamide
PubChem CID122153320
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC Name1-(dimethylamino)-N-(2-methyloxan-4-yl)-4-phenylcyclohexane-1-carboxamide
SMILESCC1CC(NC(=O)C2(N(C)C)CCC(c3ccccc3)CC2)CCO1
InChIInChI=1S/C21H32N2O2/c1-16-15-19(11-14-25-16)22-20(24)21(23(2)3)12-9-18(10-13-21)17-7-5-4-6-8-17/h4-8,16,18-19H,9-15H2,1-3H3,(H,22,24)
InChIKeyYUJPAIBIFWOWTE-UHFFFAOYSA-N
XLogP3.33
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-2,2-diphenylacetamide
CID 5082502
(2S)-1-(3,3-dimethyl-2-oxopentanoyl)-N-(3,3-diphenylpropyl)piperidine-2-carboxamide
CID 10138683
(2S)-N-[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]-2-[[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]amino]hexanamide
CID 10415718
ethyl (3S)-1-[(2R)-2-[(2-amino-2-methylpropanoyl)amino]-5-phenylpentanoyl]-3-benzylpiperidine-3-carboxylate
CID 10767921
(3R,6S,9S,13S)-9-benzhydryl-3-[(2S)-butan-2-yl]-13-[(2S)-hexan-2-yl]-6-methyl-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone
CID 11526974
(S)-1-(3-Phenyl-heptanoyl)-pyrrolidine-2-carboxylic acid (4-amino-cyclohexylmethyl)-amide
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2-(1-Benzyl-2-morpholin-4-yl-2-oxo-ethylamino)-N-(1-cyclohexylmethyl-2,3-dihydroxy-5-methyl-hexyl)-propionamide
CID 15172740
N-[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]-2-[[(2R)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]amino]propanamide
CID 15172741
(2R)-N-[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]-2-[[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]amino]hexanamide
CID 15172742
(2S)-N-[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]-2-[[(2S)-1-[4-(2-methoxyethoxy)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]amino]hexanamide
CID 15172808
(2S)-N-[(2S)-1-[butyl(methyl)amino]-3-cyclohexyl-1-oxopropan-2-yl]-4-methyl-2-(3-phenylpropanoylamino)pentanamide
CID 44299986
(3R,6S,9S,13S)-9-benzhydryl-3-[(2R)-butan-2-yl]-13-[(2S)-hexan-2-yl]-6-methyl-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone
CID 44578326

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-N-(2-methyloxan-4-yl)-4-phenylcyclohexane-1-carboxamide?
The IUPAC name of 1-(dimethylamino)-N-(2-methyloxan-4-yl)-4-phenylcyclohexane-1-carboxamide (CID 122153320) is 1-(dimethylamino)-N-(2-methyloxan-4-yl)-4-phenylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-(dimethylamino)-N-(2-methyloxan-4-yl)-4-phenylcyclohexane-1-carboxamide?
The canonical SMILES for 1-(dimethylamino)-N-(2-methyloxan-4-yl)-4-phenylcyclohexane-1-carboxamide is CC1CC(NC(=O)C2(N(C)C)CCC(c3ccccc3)CC2)CCO1.
What is the InChIKey of 1-(dimethylamino)-N-(2-methyloxan-4-yl)-4-phenylcyclohexane-1-carboxamide?
The InChIKey is YUJPAIBIFWOWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-16-15-19(11-14-25-16)22-20(24)21(23(2)3)12-9-18(10-13-21)17-7-5-4-6-8-17/h4-8,16,18-19H,9-15H2,1-3H3,(H,22,24).
What are the key properties of 1-(dimethylamino)-N-(2-methyloxan-4-yl)-4-phenylcyclohexane-1-carboxamide?
1-(dimethylamino)-N-(2-methyloxan-4-yl)-4-phenylcyclohexane-1-carboxamide has a molecular weight of 344.50 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-N-(2-methyloxan-4-yl)-4-phenylcyclohexane-1-carboxamide is sourced from PubChem (CID 122153320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).