4,7,7-trimethyl-3-oxo-N,N-dipropylbicyclo[2.2.1]heptane-1-carboxamide

C17H29NO2 — CID 23746433

IUPAC4,7,7-trimethyl-3-oxo-N,N-dipropylbicyclo[2.2.1]heptane-1-carboxamide
SMILESCCCN(CCC)C(=O)C12CCC(C)(C(=O)C1)C2(C)C
InChIInChI=1S/C17H29NO2/c1-6-10-18(11-7-2)14(20)17-9-8-16(5,13(19)12-17)15(17,3)4/h6-12H2,1-5H3
InChIKeyQYGFOCWNRSZYGW-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.42
Rot. Bonds5

About 4,7,7-trimethyl-3-oxo-N,N-dipropylbicyclo[2.2.1]heptane-1-carboxamide

4,7,7-trimethyl-3-oxo-N,N-dipropylbicyclo[2.2.1]heptane-1-carboxamide (PubChem CID 23746433) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 4,7,7-trimethyl-3-oxo-N,N-dipropylbicyclo[2.2.1]heptane-1-carboxamide.

Molecular Properties

Compound Name4,7,7-trimethyl-3-oxo-N,N-dipropylbicyclo[2.2.1]heptane-1-carboxamide
PubChem CID23746433
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name4,7,7-trimethyl-3-oxo-N,N-dipropylbicyclo[2.2.1]heptane-1-carboxamide
SMILESCCCN(CCC)C(=O)C12CCC(C)(C(=O)C1)C2(C)C
InChIInChI=1S/C17H29NO2/c1-6-10-18(11-7-2)14(20)17-9-8-16(5,13(19)12-17)15(17,3)4/h6-12H2,1-5H3
InChIKeyQYGFOCWNRSZYGW-UHFFFAOYSA-N
XLogP3.42
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-bis(2-cyanoethyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 663239
(1R,4R)-4,7,7-trimethyl-3-oxo-N-(2-(piperidin-1-yl)ethyl)bicyclo[2.2.1]heptane-1-carboxamide
CID 2941915
1,7,7-Trimethyl-4-[(2-methylpiperidin-1-yl)carbonyl]bicyclo[2.2.1]heptan-2-one
CID 2921296
1,7,7-Trimethyl-4-[(3-methylpiperidin-1-yl)carbonyl]bicyclo[2.2.1]heptan-2-one
CID 2921570
(1R,4R)-N,N-bis(2-methoxyethyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 662876
N-ethyl-N-(2-hydroxyethyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 2941016
Bicyclo(2.2.1)heptane-1-carboxamide, N,N-diethyl-7,7-dimethyl-2-oxo-
CID 3045079
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
N-(3-methoxypropyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 2950562
N-cyclopentyl-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 2974492
(1S,4S)-1,7,7-trimethyl-4-(4-methylpiperazine-1-carbonyl)bicyclo[2.2.1]heptan-2-one
CID 2898016

Frequently Asked Questions

What is the IUPAC name of 4,7,7-trimethyl-3-oxo-N,N-dipropylbicyclo[2.2.1]heptane-1-carboxamide?
The IUPAC name of 4,7,7-trimethyl-3-oxo-N,N-dipropylbicyclo[2.2.1]heptane-1-carboxamide (CID 23746433) is 4,7,7-trimethyl-3-oxo-N,N-dipropylbicyclo[2.2.1]heptane-1-carboxamide.
What is the SMILES notation for 4,7,7-trimethyl-3-oxo-N,N-dipropylbicyclo[2.2.1]heptane-1-carboxamide?
The canonical SMILES for 4,7,7-trimethyl-3-oxo-N,N-dipropylbicyclo[2.2.1]heptane-1-carboxamide is CCCN(CCC)C(=O)C12CCC(C)(C(=O)C1)C2(C)C.
What is the InChIKey of 4,7,7-trimethyl-3-oxo-N,N-dipropylbicyclo[2.2.1]heptane-1-carboxamide?
The InChIKey is QYGFOCWNRSZYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-6-10-18(11-7-2)14(20)17-9-8-16(5,13(19)12-17)15(17,3)4/h6-12H2,1-5H3.
What are the key properties of 4,7,7-trimethyl-3-oxo-N,N-dipropylbicyclo[2.2.1]heptane-1-carboxamide?
4,7,7-trimethyl-3-oxo-N,N-dipropylbicyclo[2.2.1]heptane-1-carboxamide has a molecular weight of 279.42 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7,7-trimethyl-3-oxo-N,N-dipropylbicyclo[2.2.1]heptane-1-carboxamide is sourced from PubChem (CID 23746433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).