N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide

C24H30N2O3 — CID 43066584

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
SMILESCCOc1cc(C(=O)NC(C)C2CC3CCC2C3)ccc1OCc1ccncc1
InChIInChI=1S/C24H30N2O3/c1-3-28-23-14-20(6-7-22(23)29-15-17-8-10-25-11-9-17)24(27)26-16(2)21-13-18-4-5-19(21)12-18/h6-11,14,16,18-19,21H,3-5,12-13,15H2,1-2H3,(H,26,27)
InChIKeyMIPGLSAZCCSZIJ-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.61
Rot. Bonds8

About N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide (PubChem CID 43066584) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
PubChem CID43066584
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
SMILESCCOc1cc(C(=O)NC(C)C2CC3CCC2C3)ccc1OCc1ccncc1
InChIInChI=1S/C24H30N2O3/c1-3-28-23-14-20(6-7-22(23)29-15-17-8-10-25-11-9-17)24(27)26-16(2)21-13-18-4-5-19(21)12-18/h6-11,14,16,18-19,21H,3-5,12-13,15H2,1-2H3,(H,26,27)
InChIKeyMIPGLSAZCCSZIJ-UHFFFAOYSA-N
XLogP4.61
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-3,4,5-triethoxybenzamide
CID 98194442
N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]pyridine-4-carboxamide
CID 98104808
3-ethoxy-N-(6-methylheptan-2-yl)-4-(pyridin-4-ylmethoxy)benzamide
CID 55557389
N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-(ethoxymethyl)-4-methoxybenzamide
CID 98706669
methyl 2-[4-[[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]carbamoyl]-2-methoxyphenoxy]acetate
CID 129377141
methyl 2-[4-[[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]carbamoyl]-2-methoxyphenoxy]acetate
CID 98365374
N-(1-adamantylmethyl)-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
CID 37267231
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-hydroxy-4-methoxybenzamide
CID 79589931
3-ethoxy-N'-(4-ethylbenzoyl)-4-(pyridin-4-ylmethoxy)benzohydrazide
CID 55576010
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3,4-diethoxybenzamide
CID 100533999
N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 124528243
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-pyridin-4-ylpropanamide
CID 124828623

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide (CID 43066584) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide is CCOc1cc(C(=O)NC(C)C2CC3CCC2C3)ccc1OCc1ccncc1.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide?
The InChIKey is MIPGLSAZCCSZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-3-28-23-14-20(6-7-22(23)29-15-17-8-10-25-11-9-17)24(27)26-16(2)21-13-18-4-5-19(21)12-18/h6-11,14,16,18-19,21H,3-5,12-13,15H2,1-2H3,(H,26,27).
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide has a molecular weight of 394.52 g/mol, XLogP of 4.61, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide is sourced from PubChem (CID 43066584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).