N-(1-adamantylmethyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride

C18H31ClN2O2 — CID 120783429

IUPACN-(1-adamantylmethyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCl.NC(C(=O)NCC12CC3CC(CC(C3)C1)C2)C1CCOCC1
InChIInChI=1S/C18H30N2O2.ClH/c19-16(15-1-3-22-4-2-15)17(21)20-11-18-8-12-5-13(9-18)7-14(6-12)10-18;/h12-16H,1-11,19H2,(H,20,21);1H
InChIKeyXPAWLWCLTDSAMG-UHFFFAOYSA-N
MW342.91 g/mol
LogP2.49
Rot. Bonds4

About N-(1-adamantylmethyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride

N-(1-adamantylmethyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride (PubChem CID 120783429) has the molecular formula C18H31ClN2O2 and a molecular weight of 342.91 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride
PubChem CID120783429
Molecular FormulaC18H31ClN2O2
Molecular Weight342.91 g/mol
Exact Mass342.21
IUPAC NameN-(1-adamantylmethyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCl.NC(C(=O)NCC12CC3CC(CC(C3)C1)C2)C1CCOCC1
InChIInChI=1S/C18H30N2O2.ClH/c19-16(15-1-3-22-4-2-15)17(21)20-11-18-8-12-5-13(9-18)7-14(6-12)10-18;/h12-16H,1-11,19H2,(H,20,21);1H
InChIKeyXPAWLWCLTDSAMG-UHFFFAOYSA-N
XLogP2.49
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.91
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-(oxan-4-yl)-N-[(1-propylcyclobutyl)methyl]acetamide;hydrochloride
CID 120796583
2-amino-2-(oxan-4-yl)-N-propylacetamide
CID 120783160
2-amino-2-(oxan-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide;hydrochloride
CID 120789401
2-amino-N-(2,3-dimethylbutyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120794307
(2R)-N-(1-adamantylmethyl)-2-amino-3,3-dimethylbutanamide
CID 103929652
2-amino-N-(2,2-diethylbutyl)-2-(oxan-4-yl)acetamide
CID 120796618
2-amino-N-(2-cyclohexylethyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120787635
2-amino-N-(1,4-dithian-2-ylmethyl)-2-(oxan-4-yl)acetamide
CID 120793542
2-amino-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120788149
3-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-propylpropanamide;hydrochloride
CID 120789495
2-amino-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120789789
2-amino-2-(oxan-4-yl)-N-(thiophen-3-ylmethyl)acetamide;hydrochloride
CID 120786765

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride?
The IUPAC name of N-(1-adamantylmethyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride (CID 120783429) is N-(1-adamantylmethyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride.
What is the SMILES notation for N-(1-adamantylmethyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride?
The canonical SMILES for N-(1-adamantylmethyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride is Cl.NC(C(=O)NCC12CC3CC(CC(C3)C1)C2)C1CCOCC1.
What is the InChIKey of N-(1-adamantylmethyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride?
The InChIKey is XPAWLWCLTDSAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2.ClH/c19-16(15-1-3-22-4-2-15)17(21)20-11-18-8-12-5-13(9-18)7-14(6-12)10-18;/h12-16H,1-11,19H2,(H,20,21);1H.
What are the key properties of N-(1-adamantylmethyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride?
N-(1-adamantylmethyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride has a molecular weight of 342.91 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride is sourced from PubChem (CID 120783429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).