2-(1,4-diazepan-1-yl)-N-(4-phenylphenyl)acetamide;hydrochloride

C19H24ClN3O — CID 119906439

IUPAC2-(1,4-diazepan-1-yl)-N-(4-phenylphenyl)acetamide;hydrochloride
SMILESCl.O=C(CN1CCCNCC1)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H23N3O.ClH/c23-19(15-22-13-4-11-20-12-14-22)21-18-9-7-17(8-10-18)16-5-2-1-3-6-16;/h1-3,5-10,20H,4,11-15H2,(H,21,23);1H
InChIKeyZNMRDWVPDUGCRK-UHFFFAOYSA-N
MW345.87 g/mol
LogP3.01
Rot. Bonds4

About 2-(1,4-diazepan-1-yl)-N-(4-phenylphenyl)acetamide;hydrochloride

2-(1,4-diazepan-1-yl)-N-(4-phenylphenyl)acetamide;hydrochloride (PubChem CID 119906439) has the molecular formula C19H24ClN3O and a molecular weight of 345.87 g/mol. Its IUPAC name is 2-(1,4-diazepan-1-yl)-N-(4-phenylphenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(1,4-diazepan-1-yl)-N-(4-phenylphenyl)acetamide;hydrochloride
PubChem CID119906439
Molecular FormulaC19H24ClN3O
Molecular Weight345.87 g/mol
Exact Mass345.16
IUPAC Name2-(1,4-diazepan-1-yl)-N-(4-phenylphenyl)acetamide;hydrochloride
SMILESCl.O=C(CN1CCCNCC1)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H23N3O.ClH/c23-19(15-22-13-4-11-20-12-14-22)21-18-9-7-17(8-10-18)16-5-2-1-3-6-16;/h1-3,5-10,20H,4,11-15H2,(H,21,23);1H
InChIKeyZNMRDWVPDUGCRK-UHFFFAOYSA-N
XLogP3.01
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.87
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,4-diazepan-1-yl)-N-(4-phenylphenyl)acetamide
CID 119906440
4-[[2-(1,4-diazepan-1-yl)acetyl]amino]benzoic acid
CID 62838877
2-(1,4-diazepan-1-yl)-N-(4-iodophenyl)acetamide;hydrochloride
CID 119906632
2-(1,4-diazepan-1-yl)-N-(4-iodophenyl)acetamide
CID 54773502
N-[4-(carbamoylamino)phenyl]-2-(1,4-diazepan-1-yl)acetamide
CID 62838478
N-(4-bromophenyl)-2-(1,4-diazepan-1-yl)acetamide
CID 18070461
2-(1,4-diazepan-1-yl)-N-(4-phenylmethoxyphenyl)acetamide;hydrochloride
CID 119905944
2-[[2-(1,4-diazepan-1-yl)acetyl]amino]benzoic acid
CID 62838706
N-(4-hydroxyphenyl)-2-piperazin-1-ylacetamide
CID 60850914
4-[[2-(1,4-diazepan-1-yl)acetyl]amino]-2-hydroxybenzoic acid
CID 62838704
4-[[2-(1,4-diazepan-1-yl)acetyl]amino]-2-methylbenzoic acid
CID 62833287
2-(1,4-diazepan-1-yl)-N-[3-(hydroxymethyl)phenyl]acetamide
CID 62838993

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-yl)-N-(4-phenylphenyl)acetamide;hydrochloride?
The IUPAC name of 2-(1,4-diazepan-1-yl)-N-(4-phenylphenyl)acetamide;hydrochloride (CID 119906439) is 2-(1,4-diazepan-1-yl)-N-(4-phenylphenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(1,4-diazepan-1-yl)-N-(4-phenylphenyl)acetamide;hydrochloride?
The canonical SMILES for 2-(1,4-diazepan-1-yl)-N-(4-phenylphenyl)acetamide;hydrochloride is Cl.O=C(CN1CCCNCC1)Nc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-(1,4-diazepan-1-yl)-N-(4-phenylphenyl)acetamide;hydrochloride?
The InChIKey is ZNMRDWVPDUGCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O.ClH/c23-19(15-22-13-4-11-20-12-14-22)21-18-9-7-17(8-10-18)16-5-2-1-3-6-16;/h1-3,5-10,20H,4,11-15H2,(H,21,23);1H.
What are the key properties of 2-(1,4-diazepan-1-yl)-N-(4-phenylphenyl)acetamide;hydrochloride?
2-(1,4-diazepan-1-yl)-N-(4-phenylphenyl)acetamide;hydrochloride has a molecular weight of 345.87 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazepan-1-yl)-N-(4-phenylphenyl)acetamide;hydrochloride is sourced from PubChem (CID 119906439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).