1-[[2-[(2-phenoxyacetyl)amino]acetyl]amino]cycloheptane-1-carboxylic acid

C18H24N2O5 — CID 120538943

IUPAC1-[[2-[(2-phenoxyacetyl)amino]acetyl]amino]cycloheptane-1-carboxylic acid
SMILESO=C(COc1ccccc1)NCC(=O)NC1(C(=O)O)CCCCCC1
InChIInChI=1S/C18H24N2O5/c21-15(20-18(17(23)24)10-6-1-2-7-11-18)12-19-16(22)13-25-14-8-4-3-5-9-14/h3-5,8-9H,1-2,6-7,10-13H2,(H,19,22)(H,20,21)(H,23,24)
InChIKeyNQGALELLLUBXKD-UHFFFAOYSA-N
MW348.40 g/mol
LogP1.48
Rot. Bonds7

About 1-[[2-[(2-phenoxyacetyl)amino]acetyl]amino]cycloheptane-1-carboxylic acid

1-[[2-[(2-phenoxyacetyl)amino]acetyl]amino]cycloheptane-1-carboxylic acid (PubChem CID 120538943) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is 1-[[2-[(2-phenoxyacetyl)amino]acetyl]amino]cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-[(2-phenoxyacetyl)amino]acetyl]amino]cycloheptane-1-carboxylic acid
PubChem CID120538943
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC Name1-[[2-[(2-phenoxyacetyl)amino]acetyl]amino]cycloheptane-1-carboxylic acid
SMILESO=C(COc1ccccc1)NCC(=O)NC1(C(=O)O)CCCCCC1
InChIInChI=1S/C18H24N2O5/c21-15(20-18(17(23)24)10-6-1-2-7-11-18)12-19-16(22)13-25-14-8-4-3-5-9-14/h3-5,8-9H,1-2,6-7,10-13H2,(H,19,22)(H,20,21)(H,23,24)
InChIKeyNQGALELLLUBXKD-UHFFFAOYSA-N
XLogP1.48
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-[(2-phenoxyacetyl)amino]acetyl]amino]thiolane-3-carboxylic acid
CID 120531425
1-[[2-(4-methoxyphenoxy)acetyl]amino]cycloheptane-1-carboxylic acid
CID 120538622
1-[[2-[(2-phenylacetyl)amino]acetyl]amino]cyclopentane-1-carboxylic acid
CID 119176363
1-[[2-(4-bromophenoxy)acetyl]amino]cyclohexane-1-carboxylic acid
CID 43239141
1-[[2-(4-fluorophenoxy)acetyl]amino]cycloheptane-1-carboxylic acid
CID 120538968
N-(1-carbamothioylcyclopentyl)-2-phenoxyacetamide
CID 61118930
1-[[2-(4-methoxyphenoxy)acetyl]amino]cyclobutane-1-carboxylic acid
CID 81158031
1-(4-phenoxybutanoylamino)cyclobutane-1-carboxylic acid
CID 81164463
N-cyclooctyl-2-[(2-phenoxyacetyl)amino]acetamide
CID 24635122
1-[[2-(2-bromophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120515100
N-[1-(aminomethyl)cyclohexyl]-2-phenoxyacetamide
CID 63755837
N-(hydroxymethyl)-2-phenoxyacetamide
CID 12769641

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[(2-phenoxyacetyl)amino]acetyl]amino]cycloheptane-1-carboxylic acid?
The IUPAC name of 1-[[2-[(2-phenoxyacetyl)amino]acetyl]amino]cycloheptane-1-carboxylic acid (CID 120538943) is 1-[[2-[(2-phenoxyacetyl)amino]acetyl]amino]cycloheptane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-[(2-phenoxyacetyl)amino]acetyl]amino]cycloheptane-1-carboxylic acid?
The canonical SMILES for 1-[[2-[(2-phenoxyacetyl)amino]acetyl]amino]cycloheptane-1-carboxylic acid is O=C(COc1ccccc1)NCC(=O)NC1(C(=O)O)CCCCCC1.
What is the InChIKey of 1-[[2-[(2-phenoxyacetyl)amino]acetyl]amino]cycloheptane-1-carboxylic acid?
The InChIKey is NQGALELLLUBXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5/c21-15(20-18(17(23)24)10-6-1-2-7-11-18)12-19-16(22)13-25-14-8-4-3-5-9-14/h3-5,8-9H,1-2,6-7,10-13H2,(H,19,22)(H,20,21)(H,23,24).
What are the key properties of 1-[[2-[(2-phenoxyacetyl)amino]acetyl]amino]cycloheptane-1-carboxylic acid?
1-[[2-[(2-phenoxyacetyl)amino]acetyl]amino]cycloheptane-1-carboxylic acid has a molecular weight of 348.40 g/mol, XLogP of 1.48, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[(2-phenoxyacetyl)amino]acetyl]amino]cycloheptane-1-carboxylic acid is sourced from PubChem (CID 120538943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).