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

C21H26ClN3O4 — CID 120782841

IUPAC4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-(4-methoxyphenyl)benzamide;hydrochloride
SMILESCOc1ccc(NC(=O)c2ccc(NC(=O)C(N)C3CCOCC3)cc2)cc1.Cl
InChIInChI=1S/C21H25N3O4.ClH/c1-27-18-8-6-17(7-9-18)23-20(25)15-2-4-16(5-3-15)24-21(26)19(22)14-10-12-28-13-11-14;/h2-9,14,19H,10-13,22H2,1H3,(H,23,25)(H,24,26);1H
InChIKeyQTSWJLHGSSVPIK-UHFFFAOYSA-N
MW419.91 g/mol
LogP3.06
Rot. Bonds6

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

4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-(4-methoxyphenyl)benzamide;hydrochloride (PubChem CID 120782841) has the molecular formula C21H26ClN3O4 and a molecular weight of 419.91 g/mol. Its IUPAC name is 4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-(4-methoxyphenyl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-(4-methoxyphenyl)benzamide;hydrochloride
PubChem CID120782841
Molecular FormulaC21H26ClN3O4
Molecular Weight419.91 g/mol
Exact Mass419.16
IUPAC Name4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-(4-methoxyphenyl)benzamide;hydrochloride
SMILESCOc1ccc(NC(=O)c2ccc(NC(=O)C(N)C3CCOCC3)cc2)cc1.Cl
InChIInChI=1S/C21H25N3O4.ClH/c1-27-18-8-6-17(7-9-18)23-20(25)15-2-4-16(5-3-15)24-21(26)19(22)14-10-12-28-13-11-14;/h2-9,14,19H,10-13,22H2,1H3,(H,23,25)(H,24,26);1H
InChIKeyQTSWJLHGSSVPIK-UHFFFAOYSA-N
XLogP3.06
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.91
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[2-amino-2-(oxan-4-yl)acetyl]amino]phenyl]-4-chlorobenzamide;hydrochloride
CID 120789553
2-amino-N-(3,5-dimethoxyphenyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120782987
2-amino-N-[6-(4-methoxyphenoxy)-3-pyridinyl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120801081
4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-propylbenzamide;hydrochloride
CID 120788869
N-(4-methoxyphenyl)-2-(oxan-4-yl)propanamide
CID 110876397
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-cyclopentylbenzamide
CID 120786530
2-amino-2-(oxan-4-yl)-N-[4-(oxan-4-ylmethoxy)phenyl]acetamide;hydrochloride
CID 120794059
2-amino-N-[2-(4-methoxyphenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120782919
2-amino-N-(3-bromo-4-methoxyphenyl)-2-(oxan-4-yl)acetamide
CID 120791756
2-amino-N-[4-(4-ethoxyphenoxy)phenyl]-2-(oxan-4-yl)acetamide
CID 120783556
2-amino-N-[2-(4-methoxyphenyl)-2-methylpropyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120790613

Frequently Asked Questions

What is the IUPAC name of 4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-(4-methoxyphenyl)benzamide;hydrochloride?
The IUPAC name of 4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-(4-methoxyphenyl)benzamide;hydrochloride (CID 120782841) is 4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-(4-methoxyphenyl)benzamide;hydrochloride.
What is the SMILES notation for 4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-(4-methoxyphenyl)benzamide;hydrochloride?
The canonical SMILES for 4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-(4-methoxyphenyl)benzamide;hydrochloride is COc1ccc(NC(=O)c2ccc(NC(=O)C(N)C3CCOCC3)cc2)cc1.Cl.
What is the InChIKey of 4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-(4-methoxyphenyl)benzamide;hydrochloride?
The InChIKey is QTSWJLHGSSVPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4.ClH/c1-27-18-8-6-17(7-9-18)23-20(25)15-2-4-16(5-3-15)24-21(26)19(22)14-10-12-28-13-11-14;/h2-9,14,19H,10-13,22H2,1H3,(H,23,25)(H,24,26);1H.
What are the key properties of 4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-(4-methoxyphenyl)benzamide;hydrochloride?
4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-(4-methoxyphenyl)benzamide;hydrochloride has a molecular weight of 419.91 g/mol, XLogP of 3.06, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-(4-methoxyphenyl)benzamide;hydrochloride is sourced from PubChem (CID 120782841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).