2-amino-N-benzyl-N-(2,2-dimethylpropyl)-2-(oxan-4-yl)acetamide;hydrochloride

C19H31ClN2O2 — CID 120792183

IUPAC2-amino-N-benzyl-N-(2,2-dimethylpropyl)-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCC(C)(C)CN(Cc1ccccc1)C(=O)C(N)C1CCOCC1.Cl
InChIInChI=1S/C19H30N2O2.ClH/c1-19(2,3)14-21(13-15-7-5-4-6-8-15)18(22)17(20)16-9-11-23-12-10-16;/h4-8,16-17H,9-14,20H2,1-3H3;1H
InChIKeyOOLSPWQUWVDNJA-UHFFFAOYSA-N
MW354.92 g/mol
LogP3.24
Rot. Bonds5

About 2-amino-N-benzyl-N-(2,2-dimethylpropyl)-2-(oxan-4-yl)acetamide;hydrochloride

2-amino-N-benzyl-N-(2,2-dimethylpropyl)-2-(oxan-4-yl)acetamide;hydrochloride (PubChem CID 120792183) has the molecular formula C19H31ClN2O2 and a molecular weight of 354.92 g/mol. Its IUPAC name is 2-amino-N-benzyl-N-(2,2-dimethylpropyl)-2-(oxan-4-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-benzyl-N-(2,2-dimethylpropyl)-2-(oxan-4-yl)acetamide;hydrochloride
PubChem CID120792183
Molecular FormulaC19H31ClN2O2
Molecular Weight354.92 g/mol
Exact Mass354.21
IUPAC Name2-amino-N-benzyl-N-(2,2-dimethylpropyl)-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCC(C)(C)CN(Cc1ccccc1)C(=O)C(N)C1CCOCC1.Cl
InChIInChI=1S/C19H30N2O2.ClH/c1-19(2,3)14-21(13-15-7-5-4-6-8-15)18(22)17(20)16-9-11-23-12-10-16;/h4-8,16-17H,9-14,20H2,1-3H3;1H
InChIKeyOOLSPWQUWVDNJA-UHFFFAOYSA-N
XLogP3.24
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.92
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-(oxan-4-yl)-N-(4-phenylbutan-2-yl)acetamide;hydrochloride
CID 120782923
2-amino-N-[(3,4-dichlorophenyl)methyl]-N-ethyl-2-(oxan-4-yl)acetamide
CID 120789290
2-amino-N-benzyl-2-(oxan-4-yl)acetamide
CID 120782611
2-amino-N-[(3-bromophenyl)methyl]-N-methyl-2-(oxan-4-yl)acetamide;hydrochloride
CID 120786847
2-amino-N-benzyl-3-methoxy-N-(oxan-4-ylmethyl)propanamide;hydrochloride
CID 120989782
2-amino-N-[2-(benzylamino)-2-oxoethyl]-N-methyl-2-(oxan-4-yl)acetamide
CID 120794368
2-amino-2-(oxan-4-yl)-N-(1-phenylpentan-2-yl)acetamide;hydrochloride
CID 120791991
2-amino-N-butyl-N-[(2-chlorophenyl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120791703
3-amino-N-benzyl-N-(2,2-dimethylpropyl)butanamide
CID 119774602
2-amino-2-(oxan-4-yl)-N-(1-phenylbutan-2-yl)acetamide
CID 120791380
2-amino-N-(4-methyl-4-phenylpentan-2-yl)-2-(oxan-4-yl)acetamide
CID 120790392
2-amino-N-methyl-2-(oxan-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 120785560

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-benzyl-N-(2,2-dimethylpropyl)-2-(oxan-4-yl)acetamide;hydrochloride?
The IUPAC name of 2-amino-N-benzyl-N-(2,2-dimethylpropyl)-2-(oxan-4-yl)acetamide;hydrochloride (CID 120792183) is 2-amino-N-benzyl-N-(2,2-dimethylpropyl)-2-(oxan-4-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-benzyl-N-(2,2-dimethylpropyl)-2-(oxan-4-yl)acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-benzyl-N-(2,2-dimethylpropyl)-2-(oxan-4-yl)acetamide;hydrochloride is CC(C)(C)CN(Cc1ccccc1)C(=O)C(N)C1CCOCC1.Cl.
What is the InChIKey of 2-amino-N-benzyl-N-(2,2-dimethylpropyl)-2-(oxan-4-yl)acetamide;hydrochloride?
The InChIKey is OOLSPWQUWVDNJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2.ClH/c1-19(2,3)14-21(13-15-7-5-4-6-8-15)18(22)17(20)16-9-11-23-12-10-16;/h4-8,16-17H,9-14,20H2,1-3H3;1H.
What are the key properties of 2-amino-N-benzyl-N-(2,2-dimethylpropyl)-2-(oxan-4-yl)acetamide;hydrochloride?
2-amino-N-benzyl-N-(2,2-dimethylpropyl)-2-(oxan-4-yl)acetamide;hydrochloride has a molecular weight of 354.92 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-benzyl-N-(2,2-dimethylpropyl)-2-(oxan-4-yl)acetamide;hydrochloride is sourced from PubChem (CID 120792183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).