N-[2-[2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]pyrazolidin-1-yl]-2-oxoethyl]-3-(3,4,5-trimethoxyphenyl)propanamide

C28H35N3O7 — CID 3848570

IUPACN-[2-[2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]pyrazolidin-1-yl]-2-oxoethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1ccc(C2(C(=O)N3CCCN3C(=O)CNC(=O)CCc3cc(OC)c(OC)c(OC)c3)CC2)cc1
InChIInChI=1S/C28H35N3O7/c1-35-21-9-7-20(8-10-21)28(12-13-28)27(34)31-15-5-14-30(31)25(33)18-29-24(32)11-6-19-16-22(36-2)26(38-4)23(17-19)37-3/h7-10,16-17H,5-6,11-15,18H2,1-4H3,(H,29,32)
InChIKeyHNWLJCUVAUCEQC-UHFFFAOYSA-N
MW525.60 g/mol
LogP2.48
Rot. Bonds11

About N-[2-[2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]pyrazolidin-1-yl]-2-oxoethyl]-3-(3,4,5-trimethoxyphenyl)propanamide

N-[2-[2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]pyrazolidin-1-yl]-2-oxoethyl]-3-(3,4,5-trimethoxyphenyl)propanamide (PubChem CID 3848570) has the molecular formula C28H35N3O7 and a molecular weight of 525.60 g/mol. Its IUPAC name is N-[2-[2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]pyrazolidin-1-yl]-2-oxoethyl]-3-(3,4,5-trimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[2-[2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]pyrazolidin-1-yl]-2-oxoethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
PubChem CID3848570
Molecular FormulaC28H35N3O7
Molecular Weight525.60 g/mol
Exact Mass525.25
IUPAC NameN-[2-[2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]pyrazolidin-1-yl]-2-oxoethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1ccc(C2(C(=O)N3CCCN3C(=O)CNC(=O)CCc3cc(OC)c(OC)c(OC)c3)CC2)cc1
InChIInChI=1S/C28H35N3O7/c1-35-21-9-7-20(8-10-21)28(12-13-28)27(34)31-15-5-14-30(31)25(33)18-29-24(32)11-6-19-16-22(36-2)26(38-4)23(17-19)37-3/h7-10,16-17H,5-6,11-15,18H2,1-4H3,(H,29,32)
InChIKeyHNWLJCUVAUCEQC-UHFFFAOYSA-N
XLogP2.48
TPSA106.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.60
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]pyrazolidin-1-yl]-2-(2,3,4-trimethoxyphenyl)ethanone
CID 3764291
1-[2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]pyrazolidin-1-yl]-2-methylsulfanylethanone
CID 4524182
2-(1-phenylcyclopropanecarbonyl)-N-(3,4,5-trimethoxyphenyl)pyrazolidine-1-carbothioamide
CID 4636917
N-[2-oxo-2-[[2-oxo-2-[2-(1-phenylcyclopropanecarbonyl)pyrazolidin-1-yl]ethyl]amino]ethyl]benzamide
CID 3862367
N-[3-(methylamino)propyl]-3-(3,4,5-trimethoxyphenyl)propanamide;hydrochloride
CID 119430660
N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 43067809
N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 43045435
3-(4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 7741638
N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(3,4,5-trimethoxyphenyl)propanoyl]pyrazolidine-1-carbothioamide
CID 3840814
N-[(4-methoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 7772407
N-[1-(aminomethyl)cyclopentyl]-3-(3,4,5-trimethoxyphenyl)propanamide;hydrochloride
CID 119565765
1-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one
CID 87029946

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]pyrazolidin-1-yl]-2-oxoethyl]-3-(3,4,5-trimethoxyphenyl)propanamide?
The IUPAC name of N-[2-[2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]pyrazolidin-1-yl]-2-oxoethyl]-3-(3,4,5-trimethoxyphenyl)propanamide (CID 3848570) is N-[2-[2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]pyrazolidin-1-yl]-2-oxoethyl]-3-(3,4,5-trimethoxyphenyl)propanamide.
What is the SMILES notation for N-[2-[2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]pyrazolidin-1-yl]-2-oxoethyl]-3-(3,4,5-trimethoxyphenyl)propanamide?
The canonical SMILES for N-[2-[2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]pyrazolidin-1-yl]-2-oxoethyl]-3-(3,4,5-trimethoxyphenyl)propanamide is COc1ccc(C2(C(=O)N3CCCN3C(=O)CNC(=O)CCc3cc(OC)c(OC)c(OC)c3)CC2)cc1.
What is the InChIKey of N-[2-[2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]pyrazolidin-1-yl]-2-oxoethyl]-3-(3,4,5-trimethoxyphenyl)propanamide?
The InChIKey is HNWLJCUVAUCEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N3O7/c1-35-21-9-7-20(8-10-21)28(12-13-28)27(34)31-15-5-14-30(31)25(33)18-29-24(32)11-6-19-16-22(36-2)26(38-4)23(17-19)37-3/h7-10,16-17H,5-6,11-15,18H2,1-4H3,(H,29,32).
What are the key properties of N-[2-[2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]pyrazolidin-1-yl]-2-oxoethyl]-3-(3,4,5-trimethoxyphenyl)propanamide?
N-[2-[2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]pyrazolidin-1-yl]-2-oxoethyl]-3-(3,4,5-trimethoxyphenyl)propanamide has a molecular weight of 525.60 g/mol, XLogP of 2.48, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[1-(4-methoxyphenyl)cyclopropanecarbonyl]pyrazolidin-1-yl]-2-oxoethyl]-3-(3,4,5-trimethoxyphenyl)propanamide is sourced from PubChem (CID 3848570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).