2-[4-[2-(tert-butylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide

C20H38N4O2 — CID 9131221

IUPAC2-[4-[2-(tert-butylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
SMILESC[C@@H]1CCCC[C@H]1NC(=O)CN1CCCN(CC(=O)NC(C)(C)C)CC1
InChIInChI=1S/C20H38N4O2/c1-16-8-5-6-9-17(16)21-18(25)14-23-10-7-11-24(13-12-23)15-19(26)22-20(2,3)4/h16-17H,5-15H2,1-4H3,(H,21,25)(H,22,26)/t16-,17-/m1/s1
InChIKeyDICORDXSVDFUNY-IAGOWNOFSA-N
MW366.55 g/mol
LogP1.60
Rot. Bonds5

About 2-[4-[2-(tert-butylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide

2-[4-[2-(tert-butylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide (PubChem CID 9131221) has the molecular formula C20H38N4O2 and a molecular weight of 366.55 g/mol. Its IUPAC name is 2-[4-[2-(tert-butylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide.

Molecular Properties

Compound Name2-[4-[2-(tert-butylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
PubChem CID9131221
Molecular FormulaC20H38N4O2
Molecular Weight366.55 g/mol
Exact Mass366.30
IUPAC Name2-[4-[2-(tert-butylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
SMILESC[C@@H]1CCCC[C@H]1NC(=O)CN1CCCN(CC(=O)NC(C)(C)C)CC1
InChIInChI=1S/C20H38N4O2/c1-16-8-5-6-9-17(16)21-18(25)14-23-10-7-11-24(13-12-23)15-19(26)22-20(2,3)4/h16-17H,5-15H2,1-4H3,(H,21,25)(H,22,26)/t16-,17-/m1/s1
InChIKeyDICORDXSVDFUNY-IAGOWNOFSA-N
XLogP1.60
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.55
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-[2-(tert-butylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide with MolForge

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Related Compounds

N-[(1R,2S)-2-methylcyclohexyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 1439119
2-[4-(methylamino)piperidin-1-yl]-N-(2-methylcyclohexyl)acetamide
CID 119923766
N-[(1S,2S)-2-methylcyclohexyl]-2-piperazin-1-ylacetamide
CID 28881157
1-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]piperidine-4-carboxamide
CID 8546110
2-[4-[(1S)-1-hydroxyethyl]piperidin-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 98764091
2-(azepan-1-yl)-N-tert-butylacetamide
CID 18877375
N-tert-butyl-2-(4-cyclopentylpiperazin-1-yl)acetamide
CID 121184695
2-(4-benzylpiperazin-1-yl)-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 8902763
2-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 94437071
N-tert-butyl-2-[4-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30641335
2-[3-(2-hydroxyethyl)piperidin-1-yl]-N-(2-methylcyclohexyl)acetamide
CID 62356455
2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 8719210

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(tert-butylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide?
The IUPAC name of 2-[4-[2-(tert-butylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide (CID 9131221) is 2-[4-[2-(tert-butylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide.
What is the SMILES notation for 2-[4-[2-(tert-butylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide?
The canonical SMILES for 2-[4-[2-(tert-butylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide is C[C@@H]1CCCC[C@H]1NC(=O)CN1CCCN(CC(=O)NC(C)(C)C)CC1.
What is the InChIKey of 2-[4-[2-(tert-butylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide?
The InChIKey is DICORDXSVDFUNY-IAGOWNOFSA-N. The full InChI is InChI=1S/C20H38N4O2/c1-16-8-5-6-9-17(16)21-18(25)14-23-10-7-11-24(13-12-23)15-19(26)22-20(2,3)4/h16-17H,5-15H2,1-4H3,(H,21,25)(H,22,26)/t16-,17-/m1/s1.
What are the key properties of 2-[4-[2-(tert-butylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide?
2-[4-[2-(tert-butylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide has a molecular weight of 366.55 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(tert-butylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide is sourced from PubChem (CID 9131221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).