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

C13H24N4O2 — CID 62837563

IUPAC2-(1,4-diazepan-1-yl)-N-(2-oxoazepan-3-yl)acetamide
SMILESO=C(CN1CCCNCC1)NC1CCCCNC1=O
InChIInChI=1S/C13H24N4O2/c18-12(10-17-8-3-5-14-7-9-17)16-11-4-1-2-6-15-13(11)19/h11,14H,1-10H2,(H,15,19)(H,16,18)
InChIKeyRDWNUKUCVOAYFA-UHFFFAOYSA-N
MW268.36 g/mol
LogP-0.93
Rot. Bonds3

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

2-(1,4-diazepan-1-yl)-N-(2-oxoazepan-3-yl)acetamide (PubChem CID 62837563) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-(1,4-diazepan-1-yl)-N-(2-oxoazepan-3-yl)acetamide.

Molecular Properties

Compound Name2-(1,4-diazepan-1-yl)-N-(2-oxoazepan-3-yl)acetamide
PubChem CID62837563
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name2-(1,4-diazepan-1-yl)-N-(2-oxoazepan-3-yl)acetamide
SMILESO=C(CN1CCCNCC1)NC1CCCCNC1=O
InChIInChI=1S/C13H24N4O2/c18-12(10-17-8-3-5-14-7-9-17)16-11-4-1-2-6-15-13(11)19/h11,14H,1-10H2,(H,15,19)(H,16,18)
InChIKeyRDWNUKUCVOAYFA-UHFFFAOYSA-N
XLogP-0.93
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 5-0.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylpiperazin-1-yl)-N-[(3S)-2-oxoazepan-3-yl]acetamide
CID 95280745
2-(1,4-diazepan-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide;hydrochloride
CID 119905959
4-oxo-4-[[(3S)-2-oxoazepan-3-yl]amino]butanoic acid
CID 6930772
N-(cyclopentylcarbamoyl)-2-(1,4-diazepan-1-yl)acetamide
CID 43162551
2-[2-oxo-2-[(2-oxoazepan-3-yl)amino]ethyl]sulfanylacetic acid
CID 2813122
2-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-N-[(3S)-2-oxoazepan-3-yl]acetamide
CID 124840329
2-(1,4-diazepan-1-yl)-N-[2-(hydroxymethyl)cyclopentyl]acetamide
CID 106361265
2-[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]-N-[(3R)-2-oxoazepan-3-yl]acetamide
CID 124840360
2-(1,4-diazepan-1-yl)-N-(2,2-dimethylcyclohexyl)acetamide
CID 79878300
(2-oxoazepan-3-yl)carbamic acid
CID 18612606
N-(2-oxoazepan-3-yl)-2-pyrrolidin-2-ylacetamide
CID 61364815
(Z)-N-(2-oxoazepan-3-yl)pent-3-enamide
CID 143446170

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-yl)-N-(2-oxoazepan-3-yl)acetamide?
The IUPAC name of 2-(1,4-diazepan-1-yl)-N-(2-oxoazepan-3-yl)acetamide (CID 62837563) is 2-(1,4-diazepan-1-yl)-N-(2-oxoazepan-3-yl)acetamide.
What is the SMILES notation for 2-(1,4-diazepan-1-yl)-N-(2-oxoazepan-3-yl)acetamide?
The canonical SMILES for 2-(1,4-diazepan-1-yl)-N-(2-oxoazepan-3-yl)acetamide is O=C(CN1CCCNCC1)NC1CCCCNC1=O.
What is the InChIKey of 2-(1,4-diazepan-1-yl)-N-(2-oxoazepan-3-yl)acetamide?
The InChIKey is RDWNUKUCVOAYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c18-12(10-17-8-3-5-14-7-9-17)16-11-4-1-2-6-15-13(11)19/h11,14H,1-10H2,(H,15,19)(H,16,18).
What are the key properties of 2-(1,4-diazepan-1-yl)-N-(2-oxoazepan-3-yl)acetamide?
2-(1,4-diazepan-1-yl)-N-(2-oxoazepan-3-yl)acetamide has a molecular weight of 268.36 g/mol, XLogP of -0.93, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazepan-1-yl)-N-(2-oxoazepan-3-yl)acetamide is sourced from PubChem (CID 62837563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).