(2S)-2-(dimethylamino)-N-[(1-hydroxycyclohexyl)methyl]-2-(3-methylphenyl)acetamide

C18H28N2O2 — CID 97203958

IUPAC(2S)-2-(dimethylamino)-N-[(1-hydroxycyclohexyl)methyl]-2-(3-methylphenyl)acetamide
SMILESCc1cccc([C@@H](C(=O)NCC2(O)CCCCC2)N(C)C)c1
InChIInChI=1S/C18H28N2O2/c1-14-8-7-9-15(12-14)16(20(2)3)17(21)19-13-18(22)10-5-4-6-11-18/h7-9,12,16,22H,4-6,10-11,13H2,1-3H3,(H,19,21)/t16-/m0/s1
InChIKeyZZGLAMKBOIISOG-INIZCTEOSA-N
MW304.43 g/mol
LogP2.41
Rot. Bonds5

About (2S)-2-(dimethylamino)-N-[(1-hydroxycyclohexyl)methyl]-2-(3-methylphenyl)acetamide

(2S)-2-(dimethylamino)-N-[(1-hydroxycyclohexyl)methyl]-2-(3-methylphenyl)acetamide (PubChem CID 97203958) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is (2S)-2-(dimethylamino)-N-[(1-hydroxycyclohexyl)methyl]-2-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name(2S)-2-(dimethylamino)-N-[(1-hydroxycyclohexyl)methyl]-2-(3-methylphenyl)acetamide
PubChem CID97203958
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name(2S)-2-(dimethylamino)-N-[(1-hydroxycyclohexyl)methyl]-2-(3-methylphenyl)acetamide
SMILESCc1cccc([C@@H](C(=O)NCC2(O)CCCCC2)N(C)C)c1
InChIInChI=1S/C18H28N2O2/c1-14-8-7-9-15(12-14)16(20(2)3)17(21)19-13-18(22)10-5-4-6-11-18/h7-9,12,16,22H,4-6,10-11,13H2,1-3H3,(H,19,21)/t16-/m0/s1
InChIKeyZZGLAMKBOIISOG-INIZCTEOSA-N
XLogP2.41
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(2,6-difluorophenyl)-2-(dimethylamino)-N-[(1-hydroxycyclohexyl)methyl]acetamide
CID 97060565
(2R)-2-(dimethylamino)-N-[1-(hydroxymethyl)cyclopentyl]-2-(3-methylphenyl)acetamide
CID 97154573
N-[2-[[2-(dimethylamino)-2-(3-methylphenyl)acetyl]amino]ethyl]-2-methylpropanamide
CID 72849089
N-[(1-hydroxycyclohexyl)methyl]-3-methylbenzamide
CID 64868051
(2S)-2-(dimethylamino)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(3-methylphenyl)acetamide
CID 97200777
(2S)-2-(dimethylamino)-2-(3-methylphenyl)-N-[2-(3-methylthiophen-2-yl)ethyl]acetamide
CID 95119560
N-[(1-hydroxycyclobutyl)methyl]-1-(3-methylphenyl)cyclopentane-1-carboxamide
CID 111445825
(2R)-2-(dimethylamino)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-N-methyl-2-(3-methylphenyl)acetamide
CID 97156551
N-[2-[[(2S)-2-(dimethylamino)-2-(3-methylphenyl)acetyl]amino]ethyl]-4-fluorobenzamide
CID 97150151
2-chloro-N-[(1-hydroxycyclopentyl)methyl]-2-phenylacetamide
CID 65105279
(2S)-2-(dimethylamino)-N-[(1-hydroxycyclopentyl)methyl]propanamide
CID 111840753
(2S)-2-(dimethylamino)-N-[[1-(dimethylamino)cycloheptyl]methyl]-2-(4-fluorophenyl)acetamide
CID 97190654

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(dimethylamino)-N-[(1-hydroxycyclohexyl)methyl]-2-(3-methylphenyl)acetamide?
The IUPAC name of (2S)-2-(dimethylamino)-N-[(1-hydroxycyclohexyl)methyl]-2-(3-methylphenyl)acetamide (CID 97203958) is (2S)-2-(dimethylamino)-N-[(1-hydroxycyclohexyl)methyl]-2-(3-methylphenyl)acetamide.
What is the SMILES notation for (2S)-2-(dimethylamino)-N-[(1-hydroxycyclohexyl)methyl]-2-(3-methylphenyl)acetamide?
The canonical SMILES for (2S)-2-(dimethylamino)-N-[(1-hydroxycyclohexyl)methyl]-2-(3-methylphenyl)acetamide is Cc1cccc([C@@H](C(=O)NCC2(O)CCCCC2)N(C)C)c1.
What is the InChIKey of (2S)-2-(dimethylamino)-N-[(1-hydroxycyclohexyl)methyl]-2-(3-methylphenyl)acetamide?
The InChIKey is ZZGLAMKBOIISOG-INIZCTEOSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-14-8-7-9-15(12-14)16(20(2)3)17(21)19-13-18(22)10-5-4-6-11-18/h7-9,12,16,22H,4-6,10-11,13H2,1-3H3,(H,19,21)/t16-/m0/s1.
What are the key properties of (2S)-2-(dimethylamino)-N-[(1-hydroxycyclohexyl)methyl]-2-(3-methylphenyl)acetamide?
(2S)-2-(dimethylamino)-N-[(1-hydroxycyclohexyl)methyl]-2-(3-methylphenyl)acetamide has a molecular weight of 304.43 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(dimethylamino)-N-[(1-hydroxycyclohexyl)methyl]-2-(3-methylphenyl)acetamide is sourced from PubChem (CID 97203958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).