1-[[2-ethoxyethyl(ethyl)carbamoyl]amino]cycloheptane-1-carboxylic acid

C15H28N2O4 — CID 63691822

IUPAC1-[[2-ethoxyethyl(ethyl)carbamoyl]amino]cycloheptane-1-carboxylic acid
SMILESCCOCCN(CC)C(=O)NC1(C(=O)O)CCCCCC1
InChIInChI=1S/C15H28N2O4/c1-3-17(11-12-21-4-2)14(20)16-15(13(18)19)9-7-5-6-8-10-15/h3-12H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyDCXPGTIMCBPNSS-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.23
Rot. Bonds7

About 1-[[2-ethoxyethyl(ethyl)carbamoyl]amino]cycloheptane-1-carboxylic acid

1-[[2-ethoxyethyl(ethyl)carbamoyl]amino]cycloheptane-1-carboxylic acid (PubChem CID 63691822) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is 1-[[2-ethoxyethyl(ethyl)carbamoyl]amino]cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-ethoxyethyl(ethyl)carbamoyl]amino]cycloheptane-1-carboxylic acid
PubChem CID63691822
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Name1-[[2-ethoxyethyl(ethyl)carbamoyl]amino]cycloheptane-1-carboxylic acid
SMILESCCOCCN(CC)C(=O)NC1(C(=O)O)CCCCCC1
InChIInChI=1S/C15H28N2O4/c1-3-17(11-12-21-4-2)14(20)16-15(13(18)19)9-7-5-6-8-10-15/h3-12H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyDCXPGTIMCBPNSS-UHFFFAOYSA-N
XLogP2.23
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[[ethyl(propyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 61195465
1-[[ethyl(2-hydroxyethyl)carbamoyl]amino]cyclobutane-1-carboxylic acid
CID 81163295
1-[[2-ethoxyethyl(methyl)carbamoyl]amino]cyclopropane-1-carboxylic acid
CID 81057648
1-[[3-(diethylamino)propyl-ethylcarbamoyl]amino]cyclobutane-1-carboxylic acid
CID 102995551
1-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]cycloheptane-1-carboxylic acid
CID 61449694
1-(4-ethoxybutanoylamino)cyclohexane-1-carboxylic acid
CID 112729272
1-[[methyl(propyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61196038
2-(1-aminocyclohexyl)-N-(2-ethoxyethyl)-N-ethylacetamide
CID 64677265
1-(3-ethoxypropylamino)cyclopentane-1-carboxylic acid
CID 71564982
1-[[2-(diethylamino)-2-oxoethyl]carbamoylamino]cyclopentane-1-carboxylic acid
CID 16787443
3-[[ethyl(2-methoxyethyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 64894088
1-[[ethyl(propyl)carbamoyl]amino]-3-methylcyclohexane-1-carboxylic acid
CID 61294281

Frequently Asked Questions

What is the IUPAC name of 1-[[2-ethoxyethyl(ethyl)carbamoyl]amino]cycloheptane-1-carboxylic acid?
The IUPAC name of 1-[[2-ethoxyethyl(ethyl)carbamoyl]amino]cycloheptane-1-carboxylic acid (CID 63691822) is 1-[[2-ethoxyethyl(ethyl)carbamoyl]amino]cycloheptane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-ethoxyethyl(ethyl)carbamoyl]amino]cycloheptane-1-carboxylic acid?
The canonical SMILES for 1-[[2-ethoxyethyl(ethyl)carbamoyl]amino]cycloheptane-1-carboxylic acid is CCOCCN(CC)C(=O)NC1(C(=O)O)CCCCCC1.
What is the InChIKey of 1-[[2-ethoxyethyl(ethyl)carbamoyl]amino]cycloheptane-1-carboxylic acid?
The InChIKey is DCXPGTIMCBPNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-3-17(11-12-21-4-2)14(20)16-15(13(18)19)9-7-5-6-8-10-15/h3-12H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 1-[[2-ethoxyethyl(ethyl)carbamoyl]amino]cycloheptane-1-carboxylic acid?
1-[[2-ethoxyethyl(ethyl)carbamoyl]amino]cycloheptane-1-carboxylic acid has a molecular weight of 300.40 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-ethoxyethyl(ethyl)carbamoyl]amino]cycloheptane-1-carboxylic acid is sourced from PubChem (CID 63691822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).