N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2-(oxan-2-ylmethoxy)acetamide

C18H29N3O3 — CID 91834758

IUPACN-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2-(oxan-2-ylmethoxy)acetamide
SMILESCN(Cc1n[nH]c2c1CCCCC2)C(=O)COCC1CCCCO1
InChIInChI=1S/C18H29N3O3/c1-21(18(22)13-23-12-14-7-5-6-10-24-14)11-17-15-8-3-2-4-9-16(15)19-20-17/h14H,2-13H2,1H3,(H,19,20)
InChIKeyAWJWRKUCVBQVSK-UHFFFAOYSA-N
MW335.45 g/mol
LogP2.22
Rot. Bonds6

About N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2-(oxan-2-ylmethoxy)acetamide

N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2-(oxan-2-ylmethoxy)acetamide (PubChem CID 91834758) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2-(oxan-2-ylmethoxy)acetamide.

Molecular Properties

Compound NameN-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2-(oxan-2-ylmethoxy)acetamide
PubChem CID91834758
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC NameN-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2-(oxan-2-ylmethoxy)acetamide
SMILESCN(Cc1n[nH]c2c1CCCCC2)C(=O)COCC1CCCCO1
InChIInChI=1S/C18H29N3O3/c1-21(18(22)13-23-12-14-7-5-6-10-24-14)11-17-15-8-3-2-4-9-16(15)19-20-17/h14H,2-13H2,1H3,(H,19,20)
InChIKeyAWJWRKUCVBQVSK-UHFFFAOYSA-N
XLogP2.22
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2-(oxan-2-ylmethoxy)acetamide?
The IUPAC name of N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2-(oxan-2-ylmethoxy)acetamide (CID 91834758) is N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2-(oxan-2-ylmethoxy)acetamide.
What is the SMILES notation for N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2-(oxan-2-ylmethoxy)acetamide?
The canonical SMILES for N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2-(oxan-2-ylmethoxy)acetamide is CN(Cc1n[nH]c2c1CCCCC2)C(=O)COCC1CCCCO1.
What is the InChIKey of N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2-(oxan-2-ylmethoxy)acetamide?
The InChIKey is AWJWRKUCVBQVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-21(18(22)13-23-12-14-7-5-6-10-24-14)11-17-15-8-3-2-4-9-16(15)19-20-17/h14H,2-13H2,1H3,(H,19,20).
What are the key properties of N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2-(oxan-2-ylmethoxy)acetamide?
N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2-(oxan-2-ylmethoxy)acetamide has a molecular weight of 335.45 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-2-(oxan-2-ylmethoxy)acetamide is sourced from PubChem (CID 91834758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).