2-(1,4-diazepan-1-yl)-N-(8-tricyclo[5.2.1.02,6]decanyl)acetamide

C17H29N3O — CID 62839359

IUPAC2-(1,4-diazepan-1-yl)-N-(8-tricyclo[5.2.1.02,6]decanyl)acetamide
SMILESO=C(CN1CCCNCC1)NC1CC2CC1C1CCCC21
InChIInChI=1S/C17H29N3O/c21-17(11-20-7-2-5-18-6-8-20)19-16-10-12-9-15(16)14-4-1-3-13(12)14/h12-16,18H,1-11H2,(H,19,21)
InChIKeyOUQMTOCICSHVJG-UHFFFAOYSA-N
MW291.44 g/mol
LogP1.22
Rot. Bonds3

About 2-(1,4-diazepan-1-yl)-N-(8-tricyclo[5.2.1.02,6]decanyl)acetamide

2-(1,4-diazepan-1-yl)-N-(8-tricyclo[5.2.1.02,6]decanyl)acetamide (PubChem CID 62839359) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-(1,4-diazepan-1-yl)-N-(8-tricyclo[5.2.1.02,6]decanyl)acetamide.

Molecular Properties

Compound Name2-(1,4-diazepan-1-yl)-N-(8-tricyclo[5.2.1.02,6]decanyl)acetamide
PubChem CID62839359
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name2-(1,4-diazepan-1-yl)-N-(8-tricyclo[5.2.1.02,6]decanyl)acetamide
SMILESO=C(CN1CCCNCC1)NC1CC2CC1C1CCCC21
InChIInChI=1S/C17H29N3O/c21-17(11-20-7-2-5-18-6-8-20)19-16-10-12-9-15(16)14-4-1-3-13(12)14/h12-16,18H,1-11H2,(H,19,21)
InChIKeyOUQMTOCICSHVJG-UHFFFAOYSA-N
XLogP1.22
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,4-diazepan-1-yl)-N-[2-(hydroxymethyl)cyclopentyl]acetamide
CID 106361265
3-[[2-(1,4-diazepan-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 63043303
N-[(1S,2S)-2-hydroxycyclohexyl]-2-piperazin-1-ylacetamide
CID 107221527
N-cyclopropyl-2-[[2-(1,4-diazepan-1-yl)acetyl]amino]acetamide
CID 62839148
N-[(1S,2S)-2-methylcyclohexyl]-2-piperazin-1-ylacetamide
CID 28881157
N-(cyclopropylcarbamoyl)-2-(1,4-diazepan-1-yl)acetamide
CID 43162505
2-(1,4-diazepan-1-yl)acetohydrazide
CID 63577135
2-tert-butylsulfanyl-N-(8-tricyclo[5.2.1.02,6]decanyl)acetamide
CID 78858492
N-(cyclopentylcarbamoyl)-2-(1,4-diazepan-1-yl)acetamide
CID 43162551
2-(1,4-diazepan-1-yl)-N-(1-methylpiperidin-3-yl)acetamide
CID 62838906
N-(cyclobutylmethyl)-2-piperazin-1-ylacetamide
CID 43298878
4-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)piperidine-4-carboxamide
CID 63121681

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-yl)-N-(8-tricyclo[5.2.1.02,6]decanyl)acetamide?
The IUPAC name of 2-(1,4-diazepan-1-yl)-N-(8-tricyclo[5.2.1.02,6]decanyl)acetamide (CID 62839359) is 2-(1,4-diazepan-1-yl)-N-(8-tricyclo[5.2.1.02,6]decanyl)acetamide.
What is the SMILES notation for 2-(1,4-diazepan-1-yl)-N-(8-tricyclo[5.2.1.02,6]decanyl)acetamide?
The canonical SMILES for 2-(1,4-diazepan-1-yl)-N-(8-tricyclo[5.2.1.02,6]decanyl)acetamide is O=C(CN1CCCNCC1)NC1CC2CC1C1CCCC21.
What is the InChIKey of 2-(1,4-diazepan-1-yl)-N-(8-tricyclo[5.2.1.02,6]decanyl)acetamide?
The InChIKey is OUQMTOCICSHVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c21-17(11-20-7-2-5-18-6-8-20)19-16-10-12-9-15(16)14-4-1-3-13(12)14/h12-16,18H,1-11H2,(H,19,21).
What are the key properties of 2-(1,4-diazepan-1-yl)-N-(8-tricyclo[5.2.1.02,6]decanyl)acetamide?
2-(1,4-diazepan-1-yl)-N-(8-tricyclo[5.2.1.02,6]decanyl)acetamide has a molecular weight of 291.44 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazepan-1-yl)-N-(8-tricyclo[5.2.1.02,6]decanyl)acetamide is sourced from PubChem (CID 62839359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).