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

C20H26ClN3O2 — CID 119905944

IUPAC2-(1,4-diazepan-1-yl)-N-(4-phenylmethoxyphenyl)acetamide;hydrochloride
SMILESCl.O=C(CN1CCCNCC1)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C20H25N3O2.ClH/c24-20(15-23-13-4-11-21-12-14-23)22-18-7-9-19(10-8-18)25-16-17-5-2-1-3-6-17;/h1-3,5-10,21H,4,11-16H2,(H,22,24);1H
InChIKeyCWDABCCENFSCSI-UHFFFAOYSA-N
MW375.90 g/mol
LogP2.92
Rot. Bonds6

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

2-(1,4-diazepan-1-yl)-N-(4-phenylmethoxyphenyl)acetamide;hydrochloride (PubChem CID 119905944) has the molecular formula C20H26ClN3O2 and a molecular weight of 375.90 g/mol. Its IUPAC name is 2-(1,4-diazepan-1-yl)-N-(4-phenylmethoxyphenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(1,4-diazepan-1-yl)-N-(4-phenylmethoxyphenyl)acetamide;hydrochloride
PubChem CID119905944
Molecular FormulaC20H26ClN3O2
Molecular Weight375.90 g/mol
Exact Mass375.17
IUPAC Name2-(1,4-diazepan-1-yl)-N-(4-phenylmethoxyphenyl)acetamide;hydrochloride
SMILESCl.O=C(CN1CCCNCC1)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C20H25N3O2.ClH/c24-20(15-23-13-4-11-21-12-14-23)22-18-7-9-19(10-8-18)25-16-17-5-2-1-3-6-17;/h1-3,5-10,21H,4,11-16H2,(H,22,24);1H
InChIKeyCWDABCCENFSCSI-UHFFFAOYSA-N
XLogP2.92
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.90
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,4-diazepan-1-yl)-N-(4-phenylphenyl)acetamide;hydrochloride
CID 119906439
2-(1,4-diazepan-1-yl)-N-(4-phenylphenyl)acetamide
CID 119906440
2-(4-aminopiperidin-1-yl)-N-(4-phenylmethoxyphenyl)acetamide;hydrochloride
CID 119907132
4-[[2-(1,4-diazepan-1-yl)acetyl]amino]benzoic acid
CID 62838877
2-(1,4-diazepan-1-yl)-N-phenylmethoxyacetamide
CID 64975043
2-(1,4-diazepan-1-yl)-N-(4-iodophenyl)acetamide;hydrochloride
CID 119906632
N-(4-fluorophenyl)-2-[4-[(4-phenylmethoxyphenyl)carbamothioyl]-1,4-diazepan-1-yl]acetamide
CID 3783930
N-(4-bromophenyl)-2-(1,4-diazepan-1-yl)acetamide
CID 18070461
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
2-(azepan-1-yl)-N-[6-(4-phenylmethoxyphenoxy)-3-pyridinyl]acetamide
CID 139794434
N-(4-phenylmethoxyphenyl)-2-piperidin-4-ylacetamide;hydrochloride
CID 119669311

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-yl)-N-(4-phenylmethoxyphenyl)acetamide;hydrochloride?
The IUPAC name of 2-(1,4-diazepan-1-yl)-N-(4-phenylmethoxyphenyl)acetamide;hydrochloride (CID 119905944) is 2-(1,4-diazepan-1-yl)-N-(4-phenylmethoxyphenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(1,4-diazepan-1-yl)-N-(4-phenylmethoxyphenyl)acetamide;hydrochloride?
The canonical SMILES for 2-(1,4-diazepan-1-yl)-N-(4-phenylmethoxyphenyl)acetamide;hydrochloride is Cl.O=C(CN1CCCNCC1)Nc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 2-(1,4-diazepan-1-yl)-N-(4-phenylmethoxyphenyl)acetamide;hydrochloride?
The InChIKey is CWDABCCENFSCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2.ClH/c24-20(15-23-13-4-11-21-12-14-23)22-18-7-9-19(10-8-18)25-16-17-5-2-1-3-6-17;/h1-3,5-10,21H,4,11-16H2,(H,22,24);1H.
What are the key properties of 2-(1,4-diazepan-1-yl)-N-(4-phenylmethoxyphenyl)acetamide;hydrochloride?
2-(1,4-diazepan-1-yl)-N-(4-phenylmethoxyphenyl)acetamide;hydrochloride has a molecular weight of 375.90 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazepan-1-yl)-N-(4-phenylmethoxyphenyl)acetamide;hydrochloride is sourced from PubChem (CID 119905944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).