3-(2,5-dioxopyrrolidin-1-yl)-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]propanamide

C16H25N3O4 — CID 91957375

IUPAC3-(2,5-dioxopyrrolidin-1-yl)-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]propanamide
SMILESO=C(CCN1C(=O)CCC1=O)NCC1(CN2CCOCC2)CC1
InChIInChI=1S/C16H25N3O4/c20-13(3-6-19-14(21)1-2-15(19)22)17-11-16(4-5-16)12-18-7-9-23-10-8-18/h1-12H2,(H,17,20)
InChIKeyRSWAFWPDSOUROU-UHFFFAOYSA-N
MW323.39 g/mol
LogP-0.25
Rot. Bonds7

About 3-(2,5-dioxopyrrolidin-1-yl)-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]propanamide

3-(2,5-dioxopyrrolidin-1-yl)-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]propanamide (PubChem CID 91957375) has the molecular formula C16H25N3O4 and a molecular weight of 323.39 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrolidin-1-yl)-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrolidin-1-yl)-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]propanamide
PubChem CID91957375
Molecular FormulaC16H25N3O4
Molecular Weight323.39 g/mol
Exact Mass323.18
IUPAC Name3-(2,5-dioxopyrrolidin-1-yl)-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]propanamide
SMILESO=C(CCN1C(=O)CCC1=O)NCC1(CN2CCOCC2)CC1
InChIInChI=1S/C16H25N3O4/c20-13(3-6-19-14(21)1-2-15(19)22)17-11-16(4-5-16)12-18-7-9-23-10-8-18/h1-12H2,(H,17,20)
InChIKeyRSWAFWPDSOUROU-UHFFFAOYSA-N
XLogP-0.25
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-(3,3-dimethyl-2-oxoindol-1-yl)-N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]propanamide
CID 91958003
3-amino-N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]butanamide
CID 119896490
1-[[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]methyl]cyclobutane-1-carboxylic acid
CID 115445266
4-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]oxane-4-carboxylic acid
CID 115291678
3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(hydroxymethyl)oxan-4-yl]propanamide
CID 103954131
1-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-3-prop-2-ynylurea
CID 71975516
3-(6-methylindazol-1-yl)-N-[[4-(morpholin-4-ylmethyl)oxan-4-yl]methyl]propanamide
CID 91957844
2-amino-2-methyl-N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]propanamide
CID 119896444
(3S)-N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]oxane-3-carboxamide
CID 96569943
3-(1,3-dioxoisoindol-2-yl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]propanamide
CID 110292740
N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]oxolane-2-carboxamide
CID 91957399
N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-1-phenylcyclopropane-1-carboxamide
CID 126790169

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]propanamide?
The IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]propanamide (CID 91957375) is 3-(2,5-dioxopyrrolidin-1-yl)-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]propanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrolidin-1-yl)-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]propanamide?
The canonical SMILES for 3-(2,5-dioxopyrrolidin-1-yl)-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]propanamide is O=C(CCN1C(=O)CCC1=O)NCC1(CN2CCOCC2)CC1.
What is the InChIKey of 3-(2,5-dioxopyrrolidin-1-yl)-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]propanamide?
The InChIKey is RSWAFWPDSOUROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4/c20-13(3-6-19-14(21)1-2-15(19)22)17-11-16(4-5-16)12-18-7-9-23-10-8-18/h1-12H2,(H,17,20).
What are the key properties of 3-(2,5-dioxopyrrolidin-1-yl)-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]propanamide?
3-(2,5-dioxopyrrolidin-1-yl)-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]propanamide has a molecular weight of 323.39 g/mol, XLogP of -0.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrolidin-1-yl)-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]propanamide is sourced from PubChem (CID 91957375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).