methyl N-[1-[[3-(4-methoxyphenyl)pyrazolidin-4-yl]methylamino]-1-oxopropan-2-yl]carbamate

C16H24N4O4 — CID 133267278

IUPACmethyl N-[1-[[3-(4-methoxyphenyl)pyrazolidin-4-yl]methylamino]-1-oxopropan-2-yl]carbamate
SMILESCOC(=O)NC(C)C(=O)NCC1CNNC1c1ccc(OC)cc1
InChIInChI=1S/C16H24N4O4/c1-10(19-16(22)24-3)15(21)17-8-12-9-18-20-14(12)11-4-6-13(23-2)7-5-11/h4-7,10,12,14,18,20H,8-9H2,1-3H3,(H,17,21)(H,19,22)
InChIKeyDLTNYQYLCFLMII-UHFFFAOYSA-N
MW336.39 g/mol
LogP0.32
Rot. Bonds6

About methyl N-[1-[[3-(4-methoxyphenyl)pyrazolidin-4-yl]methylamino]-1-oxopropan-2-yl]carbamate

methyl N-[1-[[3-(4-methoxyphenyl)pyrazolidin-4-yl]methylamino]-1-oxopropan-2-yl]carbamate (PubChem CID 133267278) has the molecular formula C16H24N4O4 and a molecular weight of 336.39 g/mol. Its IUPAC name is methyl N-[1-[[3-(4-methoxyphenyl)pyrazolidin-4-yl]methylamino]-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-[[3-(4-methoxyphenyl)pyrazolidin-4-yl]methylamino]-1-oxopropan-2-yl]carbamate
PubChem CID133267278
Molecular FormulaC16H24N4O4
Molecular Weight336.39 g/mol
Exact Mass336.18
IUPAC Namemethyl N-[1-[[3-(4-methoxyphenyl)pyrazolidin-4-yl]methylamino]-1-oxopropan-2-yl]carbamate
SMILESCOC(=O)NC(C)C(=O)NCC1CNNC1c1ccc(OC)cc1
InChIInChI=1S/C16H24N4O4/c1-10(19-16(22)24-3)15(21)17-8-12-9-18-20-14(12)11-4-6-13(23-2)7-5-11/h4-7,10,12,14,18,20H,8-9H2,1-3H3,(H,17,21)(H,19,22)
InChIKeyDLTNYQYLCFLMII-UHFFFAOYSA-N
XLogP0.32
TPSA100.72 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 50.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-N-[[3-(4-methoxyphenyl)pyrazolidin-4-yl]methyl]ethanamine
CID 75266717
N-[[3-(3-fluoro-4-methoxyphenyl)pyrazolidin-4-yl]methyl]-1-(6-methoxynaphthalen-2-yl)ethanamine
CID 74558078
1-[3-(4-methoxyphenyl)pyrazolidin-4-yl]-N-[(4-morpholin-4-ylphenyl)methyl]methanamine
CID 52989806
1-ethyl-N-[[3-(4-methoxyphenyl)pyrazolidin-4-yl]methyl]piperidin-3-amine
CID 75268969
1-(4-methoxyphenyl)-N-[[3-(3-methoxyphenyl)pyrazolidin-4-yl]methyl]cyclopropan-1-amine
CID 73304912
3-(4-methoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]pyrazolidine-4-carboxamide
CID 78153825
methyl N-[1-(ethylamino)-1-oxopropan-2-yl]carbamate
CID 115575411
(2S)-N-[(2-hydroxycyclopentyl)methyl]-2-(6-methoxynaphthalen-2-yl)propanamide
CID 111471262
(2R)-N-[(4-methoxyphenyl)methyl]-2-(propan-2-ylamino)propanamide
CID 9114874
ethyl 3-(2-methoxyethyl)-1-[[3-(4-methoxyphenyl)pyrazolidin-4-yl]methyl]piperidine-3-carboxylate
CID 74778805
3-(4-methoxyphenyl)-N-[3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]pyrazolidine-4-carboxamide
CID 134126658
N-(cyclohexylmethyl)-2-[1-(4-methoxyphenyl)propylamino]propanamide
CID 112771603

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-[[3-(4-methoxyphenyl)pyrazolidin-4-yl]methylamino]-1-oxopropan-2-yl]carbamate?
The IUPAC name of methyl N-[1-[[3-(4-methoxyphenyl)pyrazolidin-4-yl]methylamino]-1-oxopropan-2-yl]carbamate (CID 133267278) is methyl N-[1-[[3-(4-methoxyphenyl)pyrazolidin-4-yl]methylamino]-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for methyl N-[1-[[3-(4-methoxyphenyl)pyrazolidin-4-yl]methylamino]-1-oxopropan-2-yl]carbamate?
The canonical SMILES for methyl N-[1-[[3-(4-methoxyphenyl)pyrazolidin-4-yl]methylamino]-1-oxopropan-2-yl]carbamate is COC(=O)NC(C)C(=O)NCC1CNNC1c1ccc(OC)cc1.
What is the InChIKey of methyl N-[1-[[3-(4-methoxyphenyl)pyrazolidin-4-yl]methylamino]-1-oxopropan-2-yl]carbamate?
The InChIKey is DLTNYQYLCFLMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O4/c1-10(19-16(22)24-3)15(21)17-8-12-9-18-20-14(12)11-4-6-13(23-2)7-5-11/h4-7,10,12,14,18,20H,8-9H2,1-3H3,(H,17,21)(H,19,22).
What are the key properties of methyl N-[1-[[3-(4-methoxyphenyl)pyrazolidin-4-yl]methylamino]-1-oxopropan-2-yl]carbamate?
methyl N-[1-[[3-(4-methoxyphenyl)pyrazolidin-4-yl]methylamino]-1-oxopropan-2-yl]carbamate has a molecular weight of 336.39 g/mol, XLogP of 0.32, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-[[3-(4-methoxyphenyl)pyrazolidin-4-yl]methylamino]-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 133267278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).