2-[2-[[2-(1,4-diazepan-1-yl)acetyl]amino]phenyl]acetamide

C15H22N4O2 — CID 62837195

IUPAC2-[2-[[2-(1,4-diazepan-1-yl)acetyl]amino]phenyl]acetamide
SMILESNC(=O)Cc1ccccc1NC(=O)CN1CCCNCC1
InChIInChI=1S/C15H22N4O2/c16-14(20)10-12-4-1-2-5-13(12)18-15(21)11-19-8-3-6-17-7-9-19/h1-2,4-5,17H,3,6-11H2,(H2,16,20)(H,18,21)
InChIKeyRUSXCHHEISPPPJ-UHFFFAOYSA-N
MW290.37 g/mol
LogP-0.05
Rot. Bonds5

About 2-[2-[[2-(1,4-diazepan-1-yl)acetyl]amino]phenyl]acetamide

2-[2-[[2-(1,4-diazepan-1-yl)acetyl]amino]phenyl]acetamide (PubChem CID 62837195) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-[2-[[2-(1,4-diazepan-1-yl)acetyl]amino]phenyl]acetamide.

Molecular Properties

Compound Name2-[2-[[2-(1,4-diazepan-1-yl)acetyl]amino]phenyl]acetamide
PubChem CID62837195
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name2-[2-[[2-(1,4-diazepan-1-yl)acetyl]amino]phenyl]acetamide
SMILESNC(=O)Cc1ccccc1NC(=O)CN1CCCNCC1
InChIInChI=1S/C15H22N4O2/c16-14(20)10-12-4-1-2-5-13(12)18-15(21)11-19-8-3-6-17-7-9-19/h1-2,4-5,17H,3,6-11H2,(H2,16,20)(H,18,21)
InChIKeyRUSXCHHEISPPPJ-UHFFFAOYSA-N
XLogP-0.05
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(1,4-diazepan-1-yl)acetamide
CID 119906291
2-[[2-(1,4-diazepan-1-yl)acetyl]amino]benzoic acid
CID 62838706
N-[4-(carbamoylamino)phenyl]-2-(1,4-diazepan-1-yl)acetamide
CID 62838478
2-(1,4-diazepan-1-yl)-N-(4-phenylphenyl)acetamide
CID 119906440
2-(1,4-diazepan-1-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide;hydrochloride
CID 119906002
ethane;N-(2-methylphenyl)-2-piperazin-1-ylacetamide
CID 142082017
2-(1,4-diazepan-1-yl)-N-(4-phenylphenyl)acetamide;hydrochloride
CID 119906439
3-[[2-(1,4-diazepan-1-yl)acetyl]amino]benzamide
CID 62839609
2-(1,4-diazepan-1-yl)-N-(2,6-dimethylphenyl)acetamide
CID 43162514
2-[[2-(1,4-diazepan-1-yl)acetyl]amino]-5-hydroxybenzoic acid
CID 62839797
2-(1,4-diazepan-1-yl)-N-(2,4-dichlorophenyl)acetamide
CID 55122695
2-(1,4-diazepan-1-yl)-N-(2,5-dichlorophenyl)acetamide;hydrochloride
CID 119906433

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-(1,4-diazepan-1-yl)acetyl]amino]phenyl]acetamide?
The IUPAC name of 2-[2-[[2-(1,4-diazepan-1-yl)acetyl]amino]phenyl]acetamide (CID 62837195) is 2-[2-[[2-(1,4-diazepan-1-yl)acetyl]amino]phenyl]acetamide.
What is the SMILES notation for 2-[2-[[2-(1,4-diazepan-1-yl)acetyl]amino]phenyl]acetamide?
The canonical SMILES for 2-[2-[[2-(1,4-diazepan-1-yl)acetyl]amino]phenyl]acetamide is NC(=O)Cc1ccccc1NC(=O)CN1CCCNCC1.
What is the InChIKey of 2-[2-[[2-(1,4-diazepan-1-yl)acetyl]amino]phenyl]acetamide?
The InChIKey is RUSXCHHEISPPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c16-14(20)10-12-4-1-2-5-13(12)18-15(21)11-19-8-3-6-17-7-9-19/h1-2,4-5,17H,3,6-11H2,(H2,16,20)(H,18,21).
What are the key properties of 2-[2-[[2-(1,4-diazepan-1-yl)acetyl]amino]phenyl]acetamide?
2-[2-[[2-(1,4-diazepan-1-yl)acetyl]amino]phenyl]acetamide has a molecular weight of 290.37 g/mol, XLogP of -0.05, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-(1,4-diazepan-1-yl)acetyl]amino]phenyl]acetamide is sourced from PubChem (CID 62837195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).