1-[2-[ethyl(2-ethylbutyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid

C17H31NO3 — CID 43588235

IUPAC1-[2-[ethyl(2-ethylbutyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
SMILESCCC(CC)CN(CC)C(=O)CC1(C(=O)O)CCCCC1
InChIInChI=1S/C17H31NO3/c1-4-14(5-2)13-18(6-3)15(19)12-17(16(20)21)10-8-7-9-11-17/h14H,4-13H2,1-3H3,(H,20,21)
InChIKeyQWPAWFWOPONTGQ-UHFFFAOYSA-N
MW297.44 g/mol
LogP3.70
Rot. Bonds8

About 1-[2-[ethyl(2-ethylbutyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid

1-[2-[ethyl(2-ethylbutyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid (PubChem CID 43588235) has the molecular formula C17H31NO3 and a molecular weight of 297.44 g/mol. Its IUPAC name is 1-[2-[ethyl(2-ethylbutyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-[ethyl(2-ethylbutyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
PubChem CID43588235
Molecular FormulaC17H31NO3
Molecular Weight297.44 g/mol
Exact Mass297.23
IUPAC Name1-[2-[ethyl(2-ethylbutyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
SMILESCCC(CC)CN(CC)C(=O)CC1(C(=O)O)CCCCC1
InChIInChI=1S/C17H31NO3/c1-4-14(5-2)13-18(6-3)15(19)12-17(16(20)21)10-8-7-9-11-17/h14H,4-13H2,1-3H3,(H,20,21)
InChIKeyQWPAWFWOPONTGQ-UHFFFAOYSA-N
XLogP3.70
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-(2-ethylbutyl)-2-[1-(methylamino)cyclohexyl]acetamide
CID 65242290
1-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 107478956
1-[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 43437222
1-[2-[methyl(propyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 43437249
1-[2-[butyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 60948403
1-[2-[butan-2-yl(butyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 60662129
1-[2-[ethyl(furan-2-ylmethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 60948920
1-[2-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 60941748
1-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)cyclopropane-1-carboxamide
CID 80587791
1-[2-[ethyl(piperidin-4-yl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 61403575
1-[2-[methyl(pentyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 43437254
2-[1-[2-[ethyl(2-methylpropyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 61071684

Frequently Asked Questions

What is the IUPAC name of 1-[2-[ethyl(2-ethylbutyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[2-[ethyl(2-ethylbutyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid (CID 43588235) is 1-[2-[ethyl(2-ethylbutyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[2-[ethyl(2-ethylbutyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[2-[ethyl(2-ethylbutyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid is CCC(CC)CN(CC)C(=O)CC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[2-[ethyl(2-ethylbutyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid?
The InChIKey is QWPAWFWOPONTGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO3/c1-4-14(5-2)13-18(6-3)15(19)12-17(16(20)21)10-8-7-9-11-17/h14H,4-13H2,1-3H3,(H,20,21).
What are the key properties of 1-[2-[ethyl(2-ethylbutyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid?
1-[2-[ethyl(2-ethylbutyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid has a molecular weight of 297.44 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[ethyl(2-ethylbutyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 43588235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).