2-[1-[2-[butyl(ethyl)amino]-2-oxoethyl]cyclohexyl]acetic acid

C16H29NO3 — CID 43235018

IUPAC2-[1-[2-[butyl(ethyl)amino]-2-oxoethyl]cyclohexyl]acetic acid
SMILESCCCCN(CC)C(=O)CC1(CC(=O)O)CCCCC1
InChIInChI=1S/C16H29NO3/c1-3-5-11-17(4-2)14(18)12-16(13-15(19)20)9-7-6-8-10-16/h3-13H2,1-2H3,(H,19,20)
InChIKeyIBWIKUNCKWOYGC-UHFFFAOYSA-N
MW283.41 g/mol
LogP3.45
Rot. Bonds8

About 2-[1-[2-[butyl(ethyl)amino]-2-oxoethyl]cyclohexyl]acetic acid

2-[1-[2-[butyl(ethyl)amino]-2-oxoethyl]cyclohexyl]acetic acid (PubChem CID 43235018) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is 2-[1-[2-[butyl(ethyl)amino]-2-oxoethyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-[butyl(ethyl)amino]-2-oxoethyl]cyclohexyl]acetic acid
PubChem CID43235018
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Name2-[1-[2-[butyl(ethyl)amino]-2-oxoethyl]cyclohexyl]acetic acid
SMILESCCCCN(CC)C(=O)CC1(CC(=O)O)CCCCC1
InChIInChI=1S/C16H29NO3/c1-3-5-11-17(4-2)14(18)12-16(13-15(19)20)9-7-6-8-10-16/h3-13H2,1-2H3,(H,19,20)
InChIKeyIBWIKUNCKWOYGC-UHFFFAOYSA-N
XLogP3.45
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[2-[ethyl(propyl)amino]-2-oxoethyl]cyclohexyl]acetic acid
CID 43804933
2-[1-[2-[2-hydroxyethyl(propyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 60662255
2-[1-[2-[ethyl(2-methylpropyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 61071684
2-[1-[2-[cyclopropylmethyl(ethyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 63956962
2-[1-[2-[(2-methoxy-2-oxoethyl)-propylamino]-2-oxoethyl]cyclopentyl]acetic acid
CID 61070380
2-[1-[2-[ethyl(propan-2-yl)amino]-2-oxoethyl]cyclohexyl]acetic acid
CID 43804931
2-[1-[2-[bis(cyanomethyl)amino]-2-oxoethyl]cyclohexyl]acetic acid
CID 43235041
2-(1-tetradecylcyclohexyl)acetic acid
CID 172766747
2-[1-(aminomethyl)cyclohexyl]acetic acid;heptane
CID 19361922
2-[1-(aminomethyl)cyclohexyl]-N,N-dipropylacetamide
CID 104677371
2-[1-[2-[2-hydroxyethyl(propan-2-yl)amino]-2-oxoethyl]cyclohexyl]acetic acid
CID 43804995
2-[1-(aminomethyl)cyclohexyl]-N-ethyl-N-(2-methoxyethyl)acetamide
CID 104678009

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[butyl(ethyl)amino]-2-oxoethyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[2-[butyl(ethyl)amino]-2-oxoethyl]cyclohexyl]acetic acid (CID 43235018) is 2-[1-[2-[butyl(ethyl)amino]-2-oxoethyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[2-[butyl(ethyl)amino]-2-oxoethyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[2-[butyl(ethyl)amino]-2-oxoethyl]cyclohexyl]acetic acid is CCCCN(CC)C(=O)CC1(CC(=O)O)CCCCC1.
What is the InChIKey of 2-[1-[2-[butyl(ethyl)amino]-2-oxoethyl]cyclohexyl]acetic acid?
The InChIKey is IBWIKUNCKWOYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c1-3-5-11-17(4-2)14(18)12-16(13-15(19)20)9-7-6-8-10-16/h3-13H2,1-2H3,(H,19,20).
What are the key properties of 2-[1-[2-[butyl(ethyl)amino]-2-oxoethyl]cyclohexyl]acetic acid?
2-[1-[2-[butyl(ethyl)amino]-2-oxoethyl]cyclohexyl]acetic acid has a molecular weight of 283.41 g/mol, XLogP of 3.45, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[butyl(ethyl)amino]-2-oxoethyl]cyclohexyl]acetic acid is sourced from PubChem (CID 43235018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).