(2S)-2-amino-2-(4-methylcyclohexyl)-N-[4-(oxan-4-yl)phenyl]acetamide;hydrochloride

C20H31ClN2O2 — CID 175699695

IUPAC(2S)-2-amino-2-(4-methylcyclohexyl)-N-[4-(oxan-4-yl)phenyl]acetamide;hydrochloride
SMILESCC1CCC([C@H](N)C(=O)Nc2ccc(C3CCOCC3)cc2)CC1.Cl
InChIInChI=1S/C20H30N2O2.ClH/c1-14-2-4-17(5-3-14)19(21)20(23)22-18-8-6-15(7-9-18)16-10-12-24-13-11-16;/h6-9,14,16-17,19H,2-5,10-13,21H2,1H3,(H,22,23);1H/t14?,17?,19-;/m0./s1
InChIKeyDINDUQIQXPKCLM-LPJIFJKASA-N
MW366.93 g/mol
LogP4.09
Rot. Bonds4

About (2S)-2-amino-2-(4-methylcyclohexyl)-N-[4-(oxan-4-yl)phenyl]acetamide;hydrochloride

(2S)-2-amino-2-(4-methylcyclohexyl)-N-[4-(oxan-4-yl)phenyl]acetamide;hydrochloride (PubChem CID 175699695) has the molecular formula C20H31ClN2O2 and a molecular weight of 366.93 g/mol. Its IUPAC name is (2S)-2-amino-2-(4-methylcyclohexyl)-N-[4-(oxan-4-yl)phenyl]acetamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-2-(4-methylcyclohexyl)-N-[4-(oxan-4-yl)phenyl]acetamide;hydrochloride
PubChem CID175699695
Molecular FormulaC20H31ClN2O2
Molecular Weight366.93 g/mol
Exact Mass366.21
IUPAC Name(2S)-2-amino-2-(4-methylcyclohexyl)-N-[4-(oxan-4-yl)phenyl]acetamide;hydrochloride
SMILESCC1CCC([C@H](N)C(=O)Nc2ccc(C3CCOCC3)cc2)CC1.Cl
InChIInChI=1S/C20H30N2O2.ClH/c1-14-2-4-17(5-3-14)19(21)20(23)22-18-8-6-15(7-9-18)16-10-12-24-13-11-16;/h6-9,14,16-17,19H,2-5,10-13,21H2,1H3,(H,22,23);1H/t14?,17?,19-;/m0./s1
InChIKeyDINDUQIQXPKCLM-LPJIFJKASA-N
XLogP4.09
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.93
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1S)-1-(4-methylcyclohexyl)-2-[4-(oxan-4-yl)anilino]-2-oxoethyl]pyrazole-3-carboxamide
CID 168846687
2-amino-2-(oxan-4-yl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide;hydrochloride
CID 120785655
2-amino-2-(oxan-4-yl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide
CID 120785656
N-[4-(acetamidomethyl)phenyl]-2-amino-2-(oxan-4-yl)acetamide
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4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-propylbenzamide;hydrochloride
CID 120788869
N-[4-[[2-amino-2-(oxan-4-yl)acetyl]amino]phenyl]-3-methylbutanamide
CID 120785588
2-amino-2-(oxan-4-yl)-N-(4-pentylphenyl)acetamide
CID 120784146
2-amino-N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-2-(oxan-4-yl)acetamide
CID 120800496
N-[4-[[2-amino-2-(oxan-4-yl)acetyl]amino]phenyl]-4-chlorobenzamide;hydrochloride
CID 120789553
4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-(4-methoxyphenyl)benzamide;hydrochloride
CID 120782841
N-(3-acetamidophenyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride
CID 120782773
2-amino-2-(oxan-4-yl)-N-[4-(oxan-4-ylmethoxy)phenyl]acetamide;hydrochloride
CID 120794059

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(4-methylcyclohexyl)-N-[4-(oxan-4-yl)phenyl]acetamide;hydrochloride?
The IUPAC name of (2S)-2-amino-2-(4-methylcyclohexyl)-N-[4-(oxan-4-yl)phenyl]acetamide;hydrochloride (CID 175699695) is (2S)-2-amino-2-(4-methylcyclohexyl)-N-[4-(oxan-4-yl)phenyl]acetamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-2-(4-methylcyclohexyl)-N-[4-(oxan-4-yl)phenyl]acetamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-2-(4-methylcyclohexyl)-N-[4-(oxan-4-yl)phenyl]acetamide;hydrochloride is CC1CCC([C@H](N)C(=O)Nc2ccc(C3CCOCC3)cc2)CC1.Cl.
What is the InChIKey of (2S)-2-amino-2-(4-methylcyclohexyl)-N-[4-(oxan-4-yl)phenyl]acetamide;hydrochloride?
The InChIKey is DINDUQIQXPKCLM-LPJIFJKASA-N. The full InChI is InChI=1S/C20H30N2O2.ClH/c1-14-2-4-17(5-3-14)19(21)20(23)22-18-8-6-15(7-9-18)16-10-12-24-13-11-16;/h6-9,14,16-17,19H,2-5,10-13,21H2,1H3,(H,22,23);1H/t14?,17?,19-;/m0./s1.
What are the key properties of (2S)-2-amino-2-(4-methylcyclohexyl)-N-[4-(oxan-4-yl)phenyl]acetamide;hydrochloride?
(2S)-2-amino-2-(4-methylcyclohexyl)-N-[4-(oxan-4-yl)phenyl]acetamide;hydrochloride has a molecular weight of 366.93 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(4-methylcyclohexyl)-N-[4-(oxan-4-yl)phenyl]acetamide;hydrochloride is sourced from PubChem (CID 175699695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).