N-ethyl-N-(2-hydroxyethyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide

C15H25NO3 — CID 2941016

IUPACN-ethyl-N-(2-hydroxyethyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
SMILESCCN(CCO)C(=O)C12CCC(C)(C(=O)C1)C2(C)C
InChIInChI=1S/C15H25NO3/c1-5-16(8-9-17)12(19)15-7-6-14(4,11(18)10-15)13(15,2)3/h17H,5-10H2,1-4H3
InChIKeyQQHIIVUOYFMFFW-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.61
Rot. Bonds4

About N-ethyl-N-(2-hydroxyethyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide

N-ethyl-N-(2-hydroxyethyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide (PubChem CID 2941016) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxyethyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxyethyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
PubChem CID2941016
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC NameN-ethyl-N-(2-hydroxyethyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
SMILESCCN(CCO)C(=O)C12CCC(C)(C(=O)C1)C2(C)C
InChIInChI=1S/C15H25NO3/c1-5-16(8-9-17)12(19)15-7-6-14(4,11(18)10-15)13(15,2)3/h17H,5-10H2,1-4H3
InChIKeyQQHIIVUOYFMFFW-UHFFFAOYSA-N
XLogP1.61
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,4R)-N,N-bis(2-methoxyethyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 662876
1,7,7-Trimethyl-4-(piperidine-1-carbonyl)bicyclo[2.2.1]heptan-2-one
CID 2897994
1,7,7-trimethyl-N,N-bis(2-methylpropyl)-2-oxo-4-bicyclo[2.2.1]heptanecarboxamide
CID 2927570
(1S,4R)-1,7,7-trimethyl-4-(pyrrolidine-1-carbonyl)bicyclo[2.2.1]heptan-2-one
CID 2897977
4-(1-Azepanylcarbonyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 2949595
N,N-diethyl-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 3256727
N,N,4,7,7-Pentamethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 4458260
1,7,7-Trimethyl-4-(4-morpholinylcarbonyl)bicyclo[2.2.1]heptan-2-one
CID 2898304
4-[4-(2-Hydroxyethyl)piperazine-1-carbonyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 2920569
1,7,7-Trimethyl-4-(4-morpholinylcarbonyl)bicyclo[2.2.1]heptane-2,3-dione
CID 2969324
(1S,4S)-1,7,7-trimethyl-4-(pyrrolidine-1-carbonyl)bicyclo[2.2.1]heptan-2-one
CID 98125058
4,7,7-trimethyl-3-oxo-N,N-dipropylbicyclo[2.2.1]heptane-1-carboxamide
CID 23746433

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hydroxyethyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide?
The IUPAC name of N-ethyl-N-(2-hydroxyethyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide (CID 2941016) is N-ethyl-N-(2-hydroxyethyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxyethyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide?
The canonical SMILES for N-ethyl-N-(2-hydroxyethyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide is CCN(CCO)C(=O)C12CCC(C)(C(=O)C1)C2(C)C.
What is the InChIKey of N-ethyl-N-(2-hydroxyethyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide?
The InChIKey is QQHIIVUOYFMFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-5-16(8-9-17)12(19)15-7-6-14(4,11(18)10-15)13(15,2)3/h17H,5-10H2,1-4H3.
What are the key properties of N-ethyl-N-(2-hydroxyethyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide?
N-ethyl-N-(2-hydroxyethyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide has a molecular weight of 267.37 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxyethyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide is sourced from PubChem (CID 2941016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).