3-[[2-(1,4-diazepan-1-yl)acetyl]amino]benzamide

C14H20N4O2 — CID 62839609

IUPAC3-[[2-(1,4-diazepan-1-yl)acetyl]amino]benzamide
SMILESNC(=O)c1cccc(NC(=O)CN2CCCNCC2)c1
InChIInChI=1S/C14H20N4O2/c15-14(20)11-3-1-4-12(9-11)17-13(19)10-18-7-2-5-16-6-8-18/h1,3-4,9,16H,2,5-8,10H2,(H2,15,20)(H,17,19)
InChIKeyOEICLKQUGCRDRL-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.02
Rot. Bonds4

About 3-[[2-(1,4-diazepan-1-yl)acetyl]amino]benzamide

3-[[2-(1,4-diazepan-1-yl)acetyl]amino]benzamide (PubChem CID 62839609) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-[[2-(1,4-diazepan-1-yl)acetyl]amino]benzamide.

Molecular Properties

Compound Name3-[[2-(1,4-diazepan-1-yl)acetyl]amino]benzamide
PubChem CID62839609
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name3-[[2-(1,4-diazepan-1-yl)acetyl]amino]benzamide
SMILESNC(=O)c1cccc(NC(=O)CN2CCCNCC2)c1
InChIInChI=1S/C14H20N4O2/c15-14(20)11-3-1-4-12(9-11)17-13(19)10-18-7-2-5-16-6-8-18/h1,3-4,9,16H,2,5-8,10H2,(H2,15,20)(H,17,19)
InChIKeyOEICLKQUGCRDRL-UHFFFAOYSA-N
XLogP0.02
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(azepan-1-yl)acetyl]amino]benzamide
CID 54814769
N-cyclopropyl-3-[[2-(1,4-diazepan-1-yl)acetyl]amino]benzamide
CID 119906484
2-(1,4-diazepan-1-yl)-N-[3-(hydroxymethyl)phenyl]acetamide
CID 62838993
3-[[[2-(1,4-diazepan-1-yl)acetyl]amino]methyl]benzamide
CID 62839603
2-(1,4-diazepan-1-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 43348732
N-[4-(carbamoylamino)phenyl]-2-(1,4-diazepan-1-yl)acetamide
CID 62838478
2-(1,4-diazepan-1-yl)-N-(3-nitrophenyl)acetamide
CID 62837178
2-(1,4-diazepan-1-yl)-N-(3-ethoxyphenyl)acetamide
CID 62838844
N-(3-carbamothioylphenyl)-2-piperidin-1-ylacetamide
CID 24691128
4-[[2-(1,4-diazepan-1-yl)acetyl]amino]benzoic acid
CID 62838877
2-(1,4-diazepan-1-yl)-N-(4-phenylphenyl)acetamide
CID 119906440
N-[3-(2-amino-2-oxoethoxy)phenyl]-2-piperazin-1-ylacetamide
CID 60851602

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(1,4-diazepan-1-yl)acetyl]amino]benzamide?
The IUPAC name of 3-[[2-(1,4-diazepan-1-yl)acetyl]amino]benzamide (CID 62839609) is 3-[[2-(1,4-diazepan-1-yl)acetyl]amino]benzamide.
What is the SMILES notation for 3-[[2-(1,4-diazepan-1-yl)acetyl]amino]benzamide?
The canonical SMILES for 3-[[2-(1,4-diazepan-1-yl)acetyl]amino]benzamide is NC(=O)c1cccc(NC(=O)CN2CCCNCC2)c1.
What is the InChIKey of 3-[[2-(1,4-diazepan-1-yl)acetyl]amino]benzamide?
The InChIKey is OEICLKQUGCRDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c15-14(20)11-3-1-4-12(9-11)17-13(19)10-18-7-2-5-16-6-8-18/h1,3-4,9,16H,2,5-8,10H2,(H2,15,20)(H,17,19).
What are the key properties of 3-[[2-(1,4-diazepan-1-yl)acetyl]amino]benzamide?
3-[[2-(1,4-diazepan-1-yl)acetyl]amino]benzamide has a molecular weight of 276.34 g/mol, XLogP of 0.02, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(1,4-diazepan-1-yl)acetyl]amino]benzamide is sourced from PubChem (CID 62839609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).