5-amino-2-methyl-N-[4-(oxan-4-ylcarbamoyl)phenyl]benzamide;hydrochloride

C20H24ClN3O3 — CID 120637133

IUPAC5-amino-2-methyl-N-[4-(oxan-4-ylcarbamoyl)phenyl]benzamide;hydrochloride
SMILESCc1ccc(N)cc1C(=O)Nc1ccc(C(=O)NC2CCOCC2)cc1.Cl
InChIInChI=1S/C20H23N3O3.ClH/c1-13-2-5-15(21)12-18(13)20(25)23-16-6-3-14(4-7-16)19(24)22-17-8-10-26-11-9-17;/h2-7,12,17H,8-11,21H2,1H3,(H,22,24)(H,23,25);1H
InChIKeyHESQAHPKEZRGIK-UHFFFAOYSA-N
MW389.88 g/mol
LogP3.16
Rot. Bonds4

About 5-amino-2-methyl-N-[4-(oxan-4-ylcarbamoyl)phenyl]benzamide;hydrochloride

5-amino-2-methyl-N-[4-(oxan-4-ylcarbamoyl)phenyl]benzamide;hydrochloride (PubChem CID 120637133) has the molecular formula C20H24ClN3O3 and a molecular weight of 389.88 g/mol. Its IUPAC name is 5-amino-2-methyl-N-[4-(oxan-4-ylcarbamoyl)phenyl]benzamide;hydrochloride.

Molecular Properties

Compound Name5-amino-2-methyl-N-[4-(oxan-4-ylcarbamoyl)phenyl]benzamide;hydrochloride
PubChem CID120637133
Molecular FormulaC20H24ClN3O3
Molecular Weight389.88 g/mol
Exact Mass389.15
IUPAC Name5-amino-2-methyl-N-[4-(oxan-4-ylcarbamoyl)phenyl]benzamide;hydrochloride
SMILESCc1ccc(N)cc1C(=O)Nc1ccc(C(=O)NC2CCOCC2)cc1.Cl
InChIInChI=1S/C20H23N3O3.ClH/c1-13-2-5-15(21)12-18(13)20(25)23-16-6-3-14(4-7-16)19(24)22-17-8-10-26-11-9-17;/h2-7,12,17H,8-11,21H2,1H3,(H,22,24)(H,23,25);1H
InChIKeyHESQAHPKEZRGIK-UHFFFAOYSA-N
XLogP3.16
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.88
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-[4-[cyclohexyl(methyl)carbamoyl]phenyl]-2-methylbenzamide
CID 120624848
5-amino-2-methyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]benzamide
CID 120620954
4-amino-2-chloro-N-(oxan-4-yl)benzamide;hydrochloride
CID 119724858
4-[(2-amino-3-methylpentanoyl)amino]-N-(oxan-4-yl)benzamide;hydrochloride
CID 119810201
N-[4-[(5-amino-2-methylbenzoyl)amino]phenyl]azepane-1-carboxamide;hydrochloride
CID 120628975
3-amino-N-[4-(cyclohexylcarbamoyl)phenyl]benzamide;hydrochloride
CID 119747179
4-[(1-aminocyclopentanecarbonyl)amino]-N-(oxan-4-yl)benzamide
CID 119338734
4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-cyclopentylbenzamide
CID 120786530
4-(2-aminopentanoylamino)-N-(oxan-4-yl)benzamide
CID 119338738
5-amino-2-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]benzamide;dihydrochloride
CID 120641536
5-amino-N-(4-carbamoylcyclohexyl)-2-methylbenzamide
CID 61291951
5-amino-N-(4-cyanophenyl)-2-methylbenzamide
CID 61291527

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-N-[4-(oxan-4-ylcarbamoyl)phenyl]benzamide;hydrochloride?
The IUPAC name of 5-amino-2-methyl-N-[4-(oxan-4-ylcarbamoyl)phenyl]benzamide;hydrochloride (CID 120637133) is 5-amino-2-methyl-N-[4-(oxan-4-ylcarbamoyl)phenyl]benzamide;hydrochloride.
What is the SMILES notation for 5-amino-2-methyl-N-[4-(oxan-4-ylcarbamoyl)phenyl]benzamide;hydrochloride?
The canonical SMILES for 5-amino-2-methyl-N-[4-(oxan-4-ylcarbamoyl)phenyl]benzamide;hydrochloride is Cc1ccc(N)cc1C(=O)Nc1ccc(C(=O)NC2CCOCC2)cc1.Cl.
What is the InChIKey of 5-amino-2-methyl-N-[4-(oxan-4-ylcarbamoyl)phenyl]benzamide;hydrochloride?
The InChIKey is HESQAHPKEZRGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3.ClH/c1-13-2-5-15(21)12-18(13)20(25)23-16-6-3-14(4-7-16)19(24)22-17-8-10-26-11-9-17;/h2-7,12,17H,8-11,21H2,1H3,(H,22,24)(H,23,25);1H.
What are the key properties of 5-amino-2-methyl-N-[4-(oxan-4-ylcarbamoyl)phenyl]benzamide;hydrochloride?
5-amino-2-methyl-N-[4-(oxan-4-ylcarbamoyl)phenyl]benzamide;hydrochloride has a molecular weight of 389.88 g/mol, XLogP of 3.16, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-N-[4-(oxan-4-ylcarbamoyl)phenyl]benzamide;hydrochloride is sourced from PubChem (CID 120637133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).