4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-propylbenzamide;hydrochloride

C17H26ClN3O3 — CID 120788869

IUPAC4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-propylbenzamide;hydrochloride
SMILESCCCNC(=O)c1ccc(NC(=O)C(N)C2CCOCC2)cc1.Cl
InChIInChI=1S/C17H25N3O3.ClH/c1-2-9-19-16(21)13-3-5-14(6-4-13)20-17(22)15(18)12-7-10-23-11-8-12;/h3-6,12,15H,2,7-11,18H2,1H3,(H,19,21)(H,20,22);1H
InChIKeyHNRKPFLEALNKMN-UHFFFAOYSA-N
MW355.87 g/mol
LogP1.94
Rot. Bonds6

About 4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-propylbenzamide;hydrochloride

4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-propylbenzamide;hydrochloride (PubChem CID 120788869) has the molecular formula C17H26ClN3O3 and a molecular weight of 355.87 g/mol. Its IUPAC name is 4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-propylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-propylbenzamide;hydrochloride
PubChem CID120788869
Molecular FormulaC17H26ClN3O3
Molecular Weight355.87 g/mol
Exact Mass355.17
IUPAC Name4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-propylbenzamide;hydrochloride
SMILESCCCNC(=O)c1ccc(NC(=O)C(N)C2CCOCC2)cc1.Cl
InChIInChI=1S/C17H25N3O3.ClH/c1-2-9-19-16(21)13-3-5-14(6-4-13)20-17(22)15(18)12-7-10-23-11-8-12;/h3-6,12,15H,2,7-11,18H2,1H3,(H,19,21)(H,20,22);1H
InChIKeyHNRKPFLEALNKMN-UHFFFAOYSA-N
XLogP1.94
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[[4-[[2-amino-2-(oxan-4-yl)acetyl]amino]benzoyl]amino]propanoate
CID 120785396
4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-[(2-fluorophenyl)methyl]benzamide;hydrochloride
CID 120786959
N-[2-[[2-amino-2-(oxan-4-yl)acetyl]amino]ethyl]-4-chlorobenzamide;hydrochloride
CID 120785571
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
4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-cyclopentylbenzamide
CID 120786530
2-amino-2-(oxan-4-yl)-N-propylacetamide
CID 120783160
4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-[(4-fluorophenyl)methyl]benzamide
CID 120786924
4-[[(2R)-2-aminopropanoyl]amino]-N-propylbenzamide;hydrochloride
CID 119297917
2-amino-2-(oxan-4-yl)-N-[4-(propylsulfamoyl)phenyl]acetamide
CID 120787166
2-amino-2-(oxan-4-yl)-N-(4-pentylphenyl)acetamide
CID 120784146
1-N,4-N-bis[4-(propylcarbamoyl)phenyl]benzene-1,4-dicarboxamide
CID 17219360

Frequently Asked Questions

What is the IUPAC name of 4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-propylbenzamide;hydrochloride?
The IUPAC name of 4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-propylbenzamide;hydrochloride (CID 120788869) is 4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-propylbenzamide;hydrochloride.
What is the SMILES notation for 4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-propylbenzamide;hydrochloride?
The canonical SMILES for 4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-propylbenzamide;hydrochloride is CCCNC(=O)c1ccc(NC(=O)C(N)C2CCOCC2)cc1.Cl.
What is the InChIKey of 4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-propylbenzamide;hydrochloride?
The InChIKey is HNRKPFLEALNKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3.ClH/c1-2-9-19-16(21)13-3-5-14(6-4-13)20-17(22)15(18)12-7-10-23-11-8-12;/h3-6,12,15H,2,7-11,18H2,1H3,(H,19,21)(H,20,22);1H.
What are the key properties of 4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-propylbenzamide;hydrochloride?
4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-propylbenzamide;hydrochloride has a molecular weight of 355.87 g/mol, XLogP of 1.94, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-propylbenzamide;hydrochloride is sourced from PubChem (CID 120788869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).