5-[[2-[5-[(2-cycloheptylacetyl)amino]cyclooctyl]acetyl]amino]cyclooctane-1-carboxylic acid

C28H48N2O4 — CID 163822868

IUPAC5-[[2-[5-[(2-cycloheptylacetyl)amino]cyclooctyl]acetyl]amino]cyclooctane-1-carboxylic acid
SMILESO=C(CC1CCCCCC1)NC1CCCC(CC(=O)NC2CCCC(C(=O)O)CCC2)CCC1
InChIInChI=1S/C28H48N2O4/c31-26(19-21-9-3-1-2-4-10-21)29-24-15-5-11-22(12-6-16-24)20-27(32)30-25-17-7-13-23(28(33)34)14-8-18-25/h21-25H,1-20H2,(H,29,31)(H,30,32)(H,33,34)
InChIKeyNWXNTSWIWMYLKV-UHFFFAOYSA-N
MW476.70 g/mol
LogP5.73
Rot. Bonds7

About 5-[[2-[5-[(2-cycloheptylacetyl)amino]cyclooctyl]acetyl]amino]cyclooctane-1-carboxylic acid

5-[[2-[5-[(2-cycloheptylacetyl)amino]cyclooctyl]acetyl]amino]cyclooctane-1-carboxylic acid (PubChem CID 163822868) has the molecular formula C28H48N2O4 and a molecular weight of 476.70 g/mol. Its IUPAC name is 5-[[2-[5-[(2-cycloheptylacetyl)amino]cyclooctyl]acetyl]amino]cyclooctane-1-carboxylic acid.

Molecular Properties

Compound Name5-[[2-[5-[(2-cycloheptylacetyl)amino]cyclooctyl]acetyl]amino]cyclooctane-1-carboxylic acid
PubChem CID163822868
Molecular FormulaC28H48N2O4
Molecular Weight476.70 g/mol
Exact Mass476.36
IUPAC Name5-[[2-[5-[(2-cycloheptylacetyl)amino]cyclooctyl]acetyl]amino]cyclooctane-1-carboxylic acid
SMILESO=C(CC1CCCCCC1)NC1CCCC(CC(=O)NC2CCCC(C(=O)O)CCC2)CCC1
InChIInChI=1S/C28H48N2O4/c31-26(19-21-9-3-1-2-4-10-21)29-24-15-5-11-22(12-6-16-24)20-27(32)30-25-17-7-13-23(28(33)34)14-8-18-25/h21-25H,1-20H2,(H,29,31)(H,30,32)(H,33,34)
InChIKeyNWXNTSWIWMYLKV-UHFFFAOYSA-N
XLogP5.73
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.70
LogP ≤ 55.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 5-[[2-[5-[(2-cycloheptylacetyl)amino]cyclooctyl]acetyl]amino]cyclooctane-1-carboxylic acid with MolForge

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Related Compounds

N-cyclopentyl-2-cyclopropylacetamide
CID 60753480
3-[(2-cyclopentylacetyl)amino]cyclopentane-1-carboxylic acid
CID 66031106
2-(3-aminocyclohexyl)-N-cyclooctylacetamide
CID 55116896
3-[[2-(azetidin-3-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 64610824
2-cyclobutyl-N-[4-(methylamino)cyclohexyl]acetamide
CID 103162228
4-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]cyclohexane-1-carboxylic acid
CID 120524479
2-cyclohexyl-N-(4-oxocyclohexyl)acetamide
CID 43652908
cis-(1R,3S)-3-[(2-cyclopropylacetyl)amino]cyclopentane-1-carboxylic acid
CID 106320836
N-(4-cyanocyclohexyl)-2-cyclohexylacetamide
CID 116817040
2-cyclohexyl-N-[(3S)-piperidin-3-yl]acetamide
CID 92664479
1-[2-(cyclooctylamino)-2-oxoethyl]piperidine-4-carboxylic acid
CID 119908022
3-(cycloheptylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 63043004

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[5-[(2-cycloheptylacetyl)amino]cyclooctyl]acetyl]amino]cyclooctane-1-carboxylic acid?
The IUPAC name of 5-[[2-[5-[(2-cycloheptylacetyl)amino]cyclooctyl]acetyl]amino]cyclooctane-1-carboxylic acid (CID 163822868) is 5-[[2-[5-[(2-cycloheptylacetyl)amino]cyclooctyl]acetyl]amino]cyclooctane-1-carboxylic acid.
What is the SMILES notation for 5-[[2-[5-[(2-cycloheptylacetyl)amino]cyclooctyl]acetyl]amino]cyclooctane-1-carboxylic acid?
The canonical SMILES for 5-[[2-[5-[(2-cycloheptylacetyl)amino]cyclooctyl]acetyl]amino]cyclooctane-1-carboxylic acid is O=C(CC1CCCCCC1)NC1CCCC(CC(=O)NC2CCCC(C(=O)O)CCC2)CCC1.
What is the InChIKey of 5-[[2-[5-[(2-cycloheptylacetyl)amino]cyclooctyl]acetyl]amino]cyclooctane-1-carboxylic acid?
The InChIKey is NWXNTSWIWMYLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H48N2O4/c31-26(19-21-9-3-1-2-4-10-21)29-24-15-5-11-22(12-6-16-24)20-27(32)30-25-17-7-13-23(28(33)34)14-8-18-25/h21-25H,1-20H2,(H,29,31)(H,30,32)(H,33,34).
What are the key properties of 5-[[2-[5-[(2-cycloheptylacetyl)amino]cyclooctyl]acetyl]amino]cyclooctane-1-carboxylic acid?
5-[[2-[5-[(2-cycloheptylacetyl)amino]cyclooctyl]acetyl]amino]cyclooctane-1-carboxylic acid has a molecular weight of 476.70 g/mol, XLogP of 5.73, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[5-[(2-cycloheptylacetyl)amino]cyclooctyl]acetyl]amino]cyclooctane-1-carboxylic acid is sourced from PubChem (CID 163822868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).