4-amino-N-benzyl-N-[3-(5,6-dihydro-4H-1,3-oxazin-4-yl)propyl]benzamide;hydrochloride

C21H26ClN3O2 — CID 137321489

IUPAC4-amino-N-benzyl-N-[3-(5,6-dihydro-4H-1,3-oxazin-4-yl)propyl]benzamide;hydrochloride
SMILESCl.Nc1ccc(C(=O)N(CCCC2CCOC=N2)Cc2ccccc2)cc1
InChIInChI=1S/C21H25N3O2.ClH/c22-19-10-8-18(9-11-19)21(25)24(15-17-5-2-1-3-6-17)13-4-7-20-12-14-26-16-23-20;/h1-3,5-6,8-11,16,20H,4,7,12-15,22H2;1H
InChIKeyFUEJTPKYJCHFEH-UHFFFAOYSA-N
MW387.91 g/mol
LogP3.93
Rot. Bonds7

About 4-amino-N-benzyl-N-[3-(5,6-dihydro-4H-1,3-oxazin-4-yl)propyl]benzamide;hydrochloride

4-amino-N-benzyl-N-[3-(5,6-dihydro-4H-1,3-oxazin-4-yl)propyl]benzamide;hydrochloride (PubChem CID 137321489) has the molecular formula C21H26ClN3O2 and a molecular weight of 387.91 g/mol. Its IUPAC name is 4-amino-N-benzyl-N-[3-(5,6-dihydro-4H-1,3-oxazin-4-yl)propyl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-benzyl-N-[3-(5,6-dihydro-4H-1,3-oxazin-4-yl)propyl]benzamide;hydrochloride
PubChem CID137321489
Molecular FormulaC21H26ClN3O2
Molecular Weight387.91 g/mol
Exact Mass387.17
IUPAC Name4-amino-N-benzyl-N-[3-(5,6-dihydro-4H-1,3-oxazin-4-yl)propyl]benzamide;hydrochloride
SMILESCl.Nc1ccc(C(=O)N(CCCC2CCOC=N2)Cc2ccccc2)cc1
InChIInChI=1S/C21H25N3O2.ClH/c22-19-10-8-18(9-11-19)21(25)24(15-17-5-2-1-3-6-17)13-4-7-20-12-14-26-16-23-20;/h1-3,5-6,8-11,16,20H,4,7,12-15,22H2;1H
InChIKeyFUEJTPKYJCHFEH-UHFFFAOYSA-N
XLogP3.93
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.91
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 15345
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CID 120648747
N-(3-aminopropyl)-N-benzyl-4-(cyclopropylmethoxy)benzamide;hydrochloride
CID 120649857
N-(3-aminopropyl)-N-benzyl-4-methylbenzamide
CID 107365954
1-N,4-N-bis(3-amino-3-oxopropyl)-1-N,4-N-dibenzylbenzene-1,4-dicarboxamide
CID 28642997
2-(4-aminophenyl)-N-benzyl-N-(oxolan-2-ylmethyl)acetamide
CID 119747350
4-[benzyl(oxolan-2-ylmethyl)carbamoyl]benzoic acid
CID 119182310
4-[benzyl-[4-(cyclopropylcarbamoyl)benzoyl]amino]butanoic acid
CID 120536427
N-(3-aminopropyl)-N-benzyl-6-methylpyridine-3-carboxamide;dihydrochloride
CID 120649613
N-(3-aminopropyl)-N-benzyl-2,3-dihydro-1H-indene-5-carboxamide
CID 120648770
N-(3-aminopropyl)-N-benzyl-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide;dihydrochloride
CID 120648106
4-(dibenzylcarbamoyl)benzoic acid
CID 67563328

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-benzyl-N-[3-(5,6-dihydro-4H-1,3-oxazin-4-yl)propyl]benzamide;hydrochloride?
The IUPAC name of 4-amino-N-benzyl-N-[3-(5,6-dihydro-4H-1,3-oxazin-4-yl)propyl]benzamide;hydrochloride (CID 137321489) is 4-amino-N-benzyl-N-[3-(5,6-dihydro-4H-1,3-oxazin-4-yl)propyl]benzamide;hydrochloride.
What is the SMILES notation for 4-amino-N-benzyl-N-[3-(5,6-dihydro-4H-1,3-oxazin-4-yl)propyl]benzamide;hydrochloride?
The canonical SMILES for 4-amino-N-benzyl-N-[3-(5,6-dihydro-4H-1,3-oxazin-4-yl)propyl]benzamide;hydrochloride is Cl.Nc1ccc(C(=O)N(CCCC2CCOC=N2)Cc2ccccc2)cc1.
What is the InChIKey of 4-amino-N-benzyl-N-[3-(5,6-dihydro-4H-1,3-oxazin-4-yl)propyl]benzamide;hydrochloride?
The InChIKey is FUEJTPKYJCHFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2.ClH/c22-19-10-8-18(9-11-19)21(25)24(15-17-5-2-1-3-6-17)13-4-7-20-12-14-26-16-23-20;/h1-3,5-6,8-11,16,20H,4,7,12-15,22H2;1H.
What are the key properties of 4-amino-N-benzyl-N-[3-(5,6-dihydro-4H-1,3-oxazin-4-yl)propyl]benzamide;hydrochloride?
4-amino-N-benzyl-N-[3-(5,6-dihydro-4H-1,3-oxazin-4-yl)propyl]benzamide;hydrochloride has a molecular weight of 387.91 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-benzyl-N-[3-(5,6-dihydro-4H-1,3-oxazin-4-yl)propyl]benzamide;hydrochloride is sourced from PubChem (CID 137321489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).