N-(3-methoxyphenyl)-2-[[2-(oxolan-2-ylmethylamino)acetyl]amino]benzamide;hydrochloride

C21H26ClN3O4 — CID 119680052

IUPACN-(3-methoxyphenyl)-2-[[2-(oxolan-2-ylmethylamino)acetyl]amino]benzamide;hydrochloride
SMILESCOc1cccc(NC(=O)c2ccccc2NC(=O)CNCC2CCCO2)c1.Cl
InChIInChI=1S/C21H25N3O4.ClH/c1-27-16-7-4-6-15(12-16)23-21(26)18-9-2-3-10-19(18)24-20(25)14-22-13-17-8-5-11-28-17;/h2-4,6-7,9-10,12,17,22H,5,8,11,13-14H2,1H3,(H,23,26)(H,24,25);1H
InChIKeyHDUICCHCYWNIKX-UHFFFAOYSA-N
MW419.91 g/mol
LogP3.08
Rot. Bonds8

About N-(3-methoxyphenyl)-2-[[2-(oxolan-2-ylmethylamino)acetyl]amino]benzamide;hydrochloride

N-(3-methoxyphenyl)-2-[[2-(oxolan-2-ylmethylamino)acetyl]amino]benzamide;hydrochloride (PubChem CID 119680052) has the molecular formula C21H26ClN3O4 and a molecular weight of 419.91 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-[[2-(oxolan-2-ylmethylamino)acetyl]amino]benzamide;hydrochloride.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-[[2-(oxolan-2-ylmethylamino)acetyl]amino]benzamide;hydrochloride
PubChem CID119680052
Molecular FormulaC21H26ClN3O4
Molecular Weight419.91 g/mol
Exact Mass419.16
IUPAC NameN-(3-methoxyphenyl)-2-[[2-(oxolan-2-ylmethylamino)acetyl]amino]benzamide;hydrochloride
SMILESCOc1cccc(NC(=O)c2ccccc2NC(=O)CNCC2CCCO2)c1.Cl
InChIInChI=1S/C21H25N3O4.ClH/c1-27-16-7-4-6-15(12-16)23-21(26)18-9-2-3-10-19(18)24-20(25)14-22-13-17-8-5-11-28-17;/h2-4,6-7,9-10,12,17,22H,5,8,11,13-14H2,1H3,(H,23,26)(H,24,25);1H
InChIKeyHDUICCHCYWNIKX-UHFFFAOYSA-N
XLogP3.08
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.91
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methoxyphenyl)-2-[(2-pyrrolidin-2-ylacetyl)amino]benzamide
CID 119680067
2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-(3-methoxyphenyl)benzamide
CID 119680059
N-[3-(2-methylpropoxy)phenyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 54815323
2-(oxolan-2-ylmethylamino)-N-(2-propan-2-yloxyphenyl)acetamide
CID 54815711
[2-[2-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]-[[(2R)-oxolan-2-yl]methyl]azanium
CID 8000807
N-(3-methoxyphenyl)-2-(oxan-2-yl)acetamide
CID 110422002
N-(2,3-dimethylphenyl)-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 2078790
N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-2-methylbenzamide
CID 51154926
N-(2-methoxy-5-methylphenyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119674247
2-[4-(3-methoxy-N-methylsulfonylanilino)butanoylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 125058359
3-[[2-(2-methoxyanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54817562
N-[3-[[2-(oxolan-2-ylmethylamino)acetyl]amino]phenyl]butanamide
CID 54815821

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-[[2-(oxolan-2-ylmethylamino)acetyl]amino]benzamide;hydrochloride?
The IUPAC name of N-(3-methoxyphenyl)-2-[[2-(oxolan-2-ylmethylamino)acetyl]amino]benzamide;hydrochloride (CID 119680052) is N-(3-methoxyphenyl)-2-[[2-(oxolan-2-ylmethylamino)acetyl]amino]benzamide;hydrochloride.
What is the SMILES notation for N-(3-methoxyphenyl)-2-[[2-(oxolan-2-ylmethylamino)acetyl]amino]benzamide;hydrochloride?
The canonical SMILES for N-(3-methoxyphenyl)-2-[[2-(oxolan-2-ylmethylamino)acetyl]amino]benzamide;hydrochloride is COc1cccc(NC(=O)c2ccccc2NC(=O)CNCC2CCCO2)c1.Cl.
What is the InChIKey of N-(3-methoxyphenyl)-2-[[2-(oxolan-2-ylmethylamino)acetyl]amino]benzamide;hydrochloride?
The InChIKey is HDUICCHCYWNIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4.ClH/c1-27-16-7-4-6-15(12-16)23-21(26)18-9-2-3-10-19(18)24-20(25)14-22-13-17-8-5-11-28-17;/h2-4,6-7,9-10,12,17,22H,5,8,11,13-14H2,1H3,(H,23,26)(H,24,25);1H.
What are the key properties of N-(3-methoxyphenyl)-2-[[2-(oxolan-2-ylmethylamino)acetyl]amino]benzamide;hydrochloride?
N-(3-methoxyphenyl)-2-[[2-(oxolan-2-ylmethylamino)acetyl]amino]benzamide;hydrochloride has a molecular weight of 419.91 g/mol, XLogP of 3.08, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-[[2-(oxolan-2-ylmethylamino)acetyl]amino]benzamide;hydrochloride is sourced from PubChem (CID 119680052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).