2-(1,4-diazepan-1-yl)-N-phenylmethoxyacetamide

C14H21N3O2 — CID 64975043

IUPAC2-(1,4-diazepan-1-yl)-N-phenylmethoxyacetamide
SMILESO=C(CN1CCCNCC1)NOCc1ccccc1
InChIInChI=1S/C14H21N3O2/c18-14(11-17-9-4-7-15-8-10-17)16-19-12-13-5-2-1-3-6-13/h1-3,5-6,15H,4,7-12H2,(H,16,18)
InChIKeyYKHVZDPPPVOTEF-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.53
Rot. Bonds5

About 2-(1,4-diazepan-1-yl)-N-phenylmethoxyacetamide

2-(1,4-diazepan-1-yl)-N-phenylmethoxyacetamide (PubChem CID 64975043) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-(1,4-diazepan-1-yl)-N-phenylmethoxyacetamide.

Molecular Properties

Compound Name2-(1,4-diazepan-1-yl)-N-phenylmethoxyacetamide
PubChem CID64975043
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-(1,4-diazepan-1-yl)-N-phenylmethoxyacetamide
SMILESO=C(CN1CCCNCC1)NOCc1ccccc1
InChIInChI=1S/C14H21N3O2/c18-14(11-17-9-4-7-15-8-10-17)16-19-12-13-5-2-1-3-6-13/h1-3,5-6,15H,4,7-12H2,(H,16,18)
InChIKeyYKHVZDPPPVOTEF-UHFFFAOYSA-N
XLogP0.53
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(1,4-diazepan-1-yl)-N-(4-phenylmethoxyphenyl)acetamide;hydrochloride
CID 119905944
2-(4-hydroxypiperidin-1-yl)-N-phenylmethoxyacetamide
CID 110881841
2-[[2-(1,4-diazepan-1-yl)acetyl]amino]benzoic acid
CID 62838706
2-(1,4-diazepan-1-yl)-N-(4-phenylphenyl)acetamide
CID 119906440
benzyl 4-(1,4-diazepan-1-yl)butanoate
CID 164946182
3-phenylpropyl 2-(1,4-diazepan-1-yl)acetate
CID 62824144
2-(1,4-diazepan-1-yl)-N-(4-phenylphenyl)acetamide;hydrochloride
CID 119906439
benzyl 1,4,7,10-tetrazacyclododecane-1-carboxylate
CID 11154253
2-(1,4-diazepan-1-yl)-N-[(4-hydroxyphenyl)methyl]acetamide
CID 114332159
2-(1,4-diazepan-1-yl)acetohydrazide
CID 63577135
2-(1,4-diazepan-1-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
CID 107862973
2-(1,4-diazepan-1-yl)-N-(2,5-dimethylpyrrol-1-yl)acetamide
CID 79100773

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-yl)-N-phenylmethoxyacetamide?
The IUPAC name of 2-(1,4-diazepan-1-yl)-N-phenylmethoxyacetamide (CID 64975043) is 2-(1,4-diazepan-1-yl)-N-phenylmethoxyacetamide.
What is the SMILES notation for 2-(1,4-diazepan-1-yl)-N-phenylmethoxyacetamide?
The canonical SMILES for 2-(1,4-diazepan-1-yl)-N-phenylmethoxyacetamide is O=C(CN1CCCNCC1)NOCc1ccccc1.
What is the InChIKey of 2-(1,4-diazepan-1-yl)-N-phenylmethoxyacetamide?
The InChIKey is YKHVZDPPPVOTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c18-14(11-17-9-4-7-15-8-10-17)16-19-12-13-5-2-1-3-6-13/h1-3,5-6,15H,4,7-12H2,(H,16,18).
What are the key properties of 2-(1,4-diazepan-1-yl)-N-phenylmethoxyacetamide?
2-(1,4-diazepan-1-yl)-N-phenylmethoxyacetamide has a molecular weight of 263.34 g/mol, XLogP of 0.53, 5 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-phenylmethoxyacetamide is sourced from PubChem (CID 64975043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).