5-[[2-amino-2-(oxan-4-yl)acetyl]amino]-2-methyl-N-propan-2-ylbenzamide;hydrochloride

C18H28ClN3O3 — CID 120792775

IUPAC5-[[2-amino-2-(oxan-4-yl)acetyl]amino]-2-methyl-N-propan-2-ylbenzamide;hydrochloride
SMILESCc1ccc(NC(=O)C(N)C2CCOCC2)cc1C(=O)NC(C)C.Cl
InChIInChI=1S/C18H27N3O3.ClH/c1-11(2)20-17(22)15-10-14(5-4-12(15)3)21-18(23)16(19)13-6-8-24-9-7-13;/h4-5,10-11,13,16H,6-9,19H2,1-3H3,(H,20,22)(H,21,23);1H
InChIKeyORNFGZZDNIIMRM-UHFFFAOYSA-N
MW369.89 g/mol
LogP2.25
Rot. Bonds5

About 5-[[2-amino-2-(oxan-4-yl)acetyl]amino]-2-methyl-N-propan-2-ylbenzamide;hydrochloride

5-[[2-amino-2-(oxan-4-yl)acetyl]amino]-2-methyl-N-propan-2-ylbenzamide;hydrochloride (PubChem CID 120792775) has the molecular formula C18H28ClN3O3 and a molecular weight of 369.89 g/mol. Its IUPAC name is 5-[[2-amino-2-(oxan-4-yl)acetyl]amino]-2-methyl-N-propan-2-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name5-[[2-amino-2-(oxan-4-yl)acetyl]amino]-2-methyl-N-propan-2-ylbenzamide;hydrochloride
PubChem CID120792775
Molecular FormulaC18H28ClN3O3
Molecular Weight369.89 g/mol
Exact Mass369.18
IUPAC Name5-[[2-amino-2-(oxan-4-yl)acetyl]amino]-2-methyl-N-propan-2-ylbenzamide;hydrochloride
SMILESCc1ccc(NC(=O)C(N)C2CCOCC2)cc1C(=O)NC(C)C.Cl
InChIInChI=1S/C18H27N3O3.ClH/c1-11(2)20-17(22)15-10-14(5-4-12(15)3)21-18(23)16(19)13-6-8-24-9-7-13;/h4-5,10-11,13,16H,6-9,19H2,1-3H3,(H,20,22)(H,21,23);1H
InChIKeyORNFGZZDNIIMRM-UHFFFAOYSA-N
XLogP2.25
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.89
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-(oxan-4-yl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide;hydrochloride
CID 120785655
2-amino-N-(3-iodo-4-methylphenyl)-2-(oxan-4-yl)acetamide
CID 120783594
2-amino-2-(oxan-4-yl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide
CID 120785656
2-amino-N-(4-methyl-3-sulfamoylphenyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120784349
2-methyl-5-[2-(oxan-4-yl)propanoylamino]benzoic acid
CID 120688109
5-(2-aminopentanoylamino)-2-methyl-N-propan-2-ylbenzamide;hydrochloride
CID 119321729
2-amino-N-(3-bromo-4-methoxyphenyl)-2-(oxan-4-yl)acetamide
CID 120791756
2-amino-N-(3-methylphenyl)-2-(oxan-4-yl)acetamide
CID 120782660
N-(3-acetamidophenyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride
CID 120782773
2-amino-N-(3,4-difluorophenyl)-2-(oxan-4-yl)acetamide
CID 120782962
2-amino-N-[4-(ethylsulfonylamino)-3-methylphenyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120788893
2-amino-2-(oxan-4-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 120784140

Frequently Asked Questions

What is the IUPAC name of 5-[[2-amino-2-(oxan-4-yl)acetyl]amino]-2-methyl-N-propan-2-ylbenzamide;hydrochloride?
The IUPAC name of 5-[[2-amino-2-(oxan-4-yl)acetyl]amino]-2-methyl-N-propan-2-ylbenzamide;hydrochloride (CID 120792775) is 5-[[2-amino-2-(oxan-4-yl)acetyl]amino]-2-methyl-N-propan-2-ylbenzamide;hydrochloride.
What is the SMILES notation for 5-[[2-amino-2-(oxan-4-yl)acetyl]amino]-2-methyl-N-propan-2-ylbenzamide;hydrochloride?
The canonical SMILES for 5-[[2-amino-2-(oxan-4-yl)acetyl]amino]-2-methyl-N-propan-2-ylbenzamide;hydrochloride is Cc1ccc(NC(=O)C(N)C2CCOCC2)cc1C(=O)NC(C)C.Cl.
What is the InChIKey of 5-[[2-amino-2-(oxan-4-yl)acetyl]amino]-2-methyl-N-propan-2-ylbenzamide;hydrochloride?
The InChIKey is ORNFGZZDNIIMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3.ClH/c1-11(2)20-17(22)15-10-14(5-4-12(15)3)21-18(23)16(19)13-6-8-24-9-7-13;/h4-5,10-11,13,16H,6-9,19H2,1-3H3,(H,20,22)(H,21,23);1H.
What are the key properties of 5-[[2-amino-2-(oxan-4-yl)acetyl]amino]-2-methyl-N-propan-2-ylbenzamide;hydrochloride?
5-[[2-amino-2-(oxan-4-yl)acetyl]amino]-2-methyl-N-propan-2-ylbenzamide;hydrochloride has a molecular weight of 369.89 g/mol, XLogP of 2.25, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-amino-2-(oxan-4-yl)acetyl]amino]-2-methyl-N-propan-2-ylbenzamide;hydrochloride is sourced from PubChem (CID 120792775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).