2-[3,4-bis(phenylmethoxy)phenyl]-N-(1,2-diethylpyrazolidin-4-yl)acetamide

C29H35N3O3 — CID 139707195

IUPAC2-[3,4-bis(phenylmethoxy)phenyl]-N-(1,2-diethylpyrazolidin-4-yl)acetamide
SMILESCCN1CC(NC(=O)Cc2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CN1CC
InChIInChI=1S/C29H35N3O3/c1-3-31-19-26(20-32(31)4-2)30-29(33)18-25-15-16-27(34-21-23-11-7-5-8-12-23)28(17-25)35-22-24-13-9-6-10-14-24/h5-17,26H,3-4,18-22H2,1-2H3,(H,30,33)
InChIKeyJEXCCKULQIQAOG-UHFFFAOYSA-N
MW473.62 g/mol
LogP4.44
Rot. Bonds11

About 2-[3,4-bis(phenylmethoxy)phenyl]-N-(1,2-diethylpyrazolidin-4-yl)acetamide

2-[3,4-bis(phenylmethoxy)phenyl]-N-(1,2-diethylpyrazolidin-4-yl)acetamide (PubChem CID 139707195) has the molecular formula C29H35N3O3 and a molecular weight of 473.62 g/mol. Its IUPAC name is 2-[3,4-bis(phenylmethoxy)phenyl]-N-(1,2-diethylpyrazolidin-4-yl)acetamide.

Molecular Properties

Compound Name2-[3,4-bis(phenylmethoxy)phenyl]-N-(1,2-diethylpyrazolidin-4-yl)acetamide
PubChem CID139707195
Molecular FormulaC29H35N3O3
Molecular Weight473.62 g/mol
Exact Mass473.27
IUPAC Name2-[3,4-bis(phenylmethoxy)phenyl]-N-(1,2-diethylpyrazolidin-4-yl)acetamide
SMILESCCN1CC(NC(=O)Cc2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CN1CC
InChIInChI=1S/C29H35N3O3/c1-3-31-19-26(20-32(31)4-2)30-29(33)18-25-15-16-27(34-21-23-11-7-5-8-12-23)28(17-25)35-22-24-13-9-6-10-14-24/h5-17,26H,3-4,18-22H2,1-2H3,(H,30,33)
InChIKeyJEXCCKULQIQAOG-UHFFFAOYSA-N
XLogP4.44
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.62
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-[2-[(1,2-diethylpyrazolidin-4-yl)amino]-2-oxoethyl]-6-(2-methylpropyl)phenoxy]methyl]benzoic acid
CID 139707221
N-[2-[3,4-bis(phenylmethoxy)phenyl]ethyl]-2-(2-oxoazepan-1-yl)acetamide
CID 142011046
4-[2-[3,4-bis(phenylmethoxy)phenyl]ethylamino]-4-oxobutanoic acid;methanol
CID 164862986
2-(3-methoxy-4-phenylmethoxyphenyl)-1-pyrrolidin-1-ylethanone
CID 71313895
methyl 2-(3-chloro-4-phenylmethoxyphenyl)acetate
CID 561937
methyl 3-[3,4-bis(phenylmethoxy)phenyl]-3-oxopropanoate
CID 142350282
2-(3,4-diethoxyphenyl)-N'-(2-phenoxyacetyl)acetohydrazide
CID 3346221
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]butanamide
CID 27865842
2-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]acetic acid
CID 7139432
N-(1-tert-butylazetidin-3-yl)-2-phenylacetamide
CID 164918158
1-(4-ethyl-2-phenylmethoxyphenyl)ethanone
CID 122531292
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-methylazanium
CID 8694028

Frequently Asked Questions

What is the IUPAC name of 2-[3,4-bis(phenylmethoxy)phenyl]-N-(1,2-diethylpyrazolidin-4-yl)acetamide?
The IUPAC name of 2-[3,4-bis(phenylmethoxy)phenyl]-N-(1,2-diethylpyrazolidin-4-yl)acetamide (CID 139707195) is 2-[3,4-bis(phenylmethoxy)phenyl]-N-(1,2-diethylpyrazolidin-4-yl)acetamide.
What is the SMILES notation for 2-[3,4-bis(phenylmethoxy)phenyl]-N-(1,2-diethylpyrazolidin-4-yl)acetamide?
The canonical SMILES for 2-[3,4-bis(phenylmethoxy)phenyl]-N-(1,2-diethylpyrazolidin-4-yl)acetamide is CCN1CC(NC(=O)Cc2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)CN1CC.
What is the InChIKey of 2-[3,4-bis(phenylmethoxy)phenyl]-N-(1,2-diethylpyrazolidin-4-yl)acetamide?
The InChIKey is JEXCCKULQIQAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N3O3/c1-3-31-19-26(20-32(31)4-2)30-29(33)18-25-15-16-27(34-21-23-11-7-5-8-12-23)28(17-25)35-22-24-13-9-6-10-14-24/h5-17,26H,3-4,18-22H2,1-2H3,(H,30,33).
What are the key properties of 2-[3,4-bis(phenylmethoxy)phenyl]-N-(1,2-diethylpyrazolidin-4-yl)acetamide?
2-[3,4-bis(phenylmethoxy)phenyl]-N-(1,2-diethylpyrazolidin-4-yl)acetamide has a molecular weight of 473.62 g/mol, XLogP of 4.44, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,4-bis(phenylmethoxy)phenyl]-N-(1,2-diethylpyrazolidin-4-yl)acetamide is sourced from PubChem (CID 139707195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).