2-(1,4-diazepan-1-yl)-N-(3-propoxypropyl)acetamide

C13H27N3O2 — CID 82939966

IUPAC2-(1,4-diazepan-1-yl)-N-(3-propoxypropyl)acetamide
SMILESCCCOCCCNC(=O)CN1CCCNCC1
InChIInChI=1S/C13H27N3O2/c1-2-10-18-11-4-6-15-13(17)12-16-8-3-5-14-7-9-16/h14H,2-12H2,1H3,(H,15,17)
InChIKeyCGISWTMTCWKARG-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.21
Rot. Bonds8

About 2-(1,4-diazepan-1-yl)-N-(3-propoxypropyl)acetamide

2-(1,4-diazepan-1-yl)-N-(3-propoxypropyl)acetamide (PubChem CID 82939966) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-(1,4-diazepan-1-yl)-N-(3-propoxypropyl)acetamide.

Molecular Properties

Compound Name2-(1,4-diazepan-1-yl)-N-(3-propoxypropyl)acetamide
PubChem CID82939966
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name2-(1,4-diazepan-1-yl)-N-(3-propoxypropyl)acetamide
SMILESCCCOCCCNC(=O)CN1CCCNCC1
InChIInChI=1S/C13H27N3O2/c1-2-10-18-11-4-6-15-13(17)12-16-8-3-5-14-7-9-16/h14H,2-12H2,1H3,(H,15,17)
InChIKeyCGISWTMTCWKARG-UHFFFAOYSA-N
XLogP0.21
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(1,4-diazepan-1-yl)-N-[3-(dimethylamino)propyl]acetamide
CID 54773686
2-(1,4-diazepan-1-yl)-N-(5-hydroxypentyl)acetamide
CID 107317788
2-[2-[[2-(1,4-diazepan-1-yl)acetyl]amino]ethoxy]acetic acid
CID 79456856
methyl 3-[[2-(1,4-diazepan-1-yl)acetyl]amino]propanoate
CID 62837481
5-[[2-(1,4-diazepan-1-yl)acetyl]amino]pentanamide
CID 106235926
2-(1,4-diazepan-1-yl)-N-(7-methyloctyl)acetamide
CID 62839599
2-(1,4-diazepan-1-yl)-N-[2-(diethylamino)ethyl]acetamide
CID 54773681
N-cyclopropyl-4-[[2-(1,4-diazepan-1-yl)acetyl]amino]butanamide
CID 79401234
N-[2-[[2-(1,4-diazepan-1-yl)acetyl]amino]ethyl]-2-methylpropanamide
CID 62839250
2-(1,4-diazepan-1-yl)-N-(3-hydroxy-4-methoxybutyl)acetamide
CID 106247485
2-(1,4-diazepan-1-yl)-N-(2,2-dimethoxyethyl)acetamide
CID 62839766
2-(1,4-diazepan-1-yl)-N-(propylcarbamoyl)acetamide;hydrochloride
CID 119906348

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-yl)-N-(3-propoxypropyl)acetamide?
The IUPAC name of 2-(1,4-diazepan-1-yl)-N-(3-propoxypropyl)acetamide (CID 82939966) is 2-(1,4-diazepan-1-yl)-N-(3-propoxypropyl)acetamide.
What is the SMILES notation for 2-(1,4-diazepan-1-yl)-N-(3-propoxypropyl)acetamide?
The canonical SMILES for 2-(1,4-diazepan-1-yl)-N-(3-propoxypropyl)acetamide is CCCOCCCNC(=O)CN1CCCNCC1.
What is the InChIKey of 2-(1,4-diazepan-1-yl)-N-(3-propoxypropyl)acetamide?
The InChIKey is CGISWTMTCWKARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-2-10-18-11-4-6-15-13(17)12-16-8-3-5-14-7-9-16/h14H,2-12H2,1H3,(H,15,17).
What are the key properties of 2-(1,4-diazepan-1-yl)-N-(3-propoxypropyl)acetamide?
2-(1,4-diazepan-1-yl)-N-(3-propoxypropyl)acetamide has a molecular weight of 257.38 g/mol, XLogP of 0.21, 8 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-(3-propoxypropyl)acetamide is sourced from PubChem (CID 82939966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).