2-methyl-N-[3-oxo-3-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]anilino]propyl]cyclopropane-1-carboxamide

C18H23N3O4 — CID 47042436

IUPAC2-methyl-N-[3-oxo-3-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]anilino]propyl]cyclopropane-1-carboxamide
SMILESCC1CC1C(=O)NCCC(=O)Nc1cccc(CN2CCOC2=O)c1
InChIInChI=1S/C18H23N3O4/c1-12-9-15(12)17(23)19-6-5-16(22)20-14-4-2-3-13(10-14)11-21-7-8-25-18(21)24/h2-4,10,12,15H,5-9,11H2,1H3,(H,19,23)(H,20,22)
InChIKeyCXQMDJOHUCWTEB-UHFFFAOYSA-N
MW345.40 g/mol
LogP1.74
Rot. Bonds7

About 2-methyl-N-[3-oxo-3-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]anilino]propyl]cyclopropane-1-carboxamide

2-methyl-N-[3-oxo-3-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]anilino]propyl]cyclopropane-1-carboxamide (PubChem CID 47042436) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is 2-methyl-N-[3-oxo-3-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]anilino]propyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[3-oxo-3-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]anilino]propyl]cyclopropane-1-carboxamide
PubChem CID47042436
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Name2-methyl-N-[3-oxo-3-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]anilino]propyl]cyclopropane-1-carboxamide
SMILESCC1CC1C(=O)NCCC(=O)Nc1cccc(CN2CCOC2=O)c1
InChIInChI=1S/C18H23N3O4/c1-12-9-15(12)17(23)19-6-5-16(22)20-14-4-2-3-13(10-14)11-21-7-8-25-18(21)24/h2-4,10,12,15H,5-9,11H2,1H3,(H,19,23)(H,20,22)
InChIKeyCXQMDJOHUCWTEB-UHFFFAOYSA-N
XLogP1.74
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-[3-oxo-3-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]anilino]propyl]cyclopropane-1-carboxamide with MolForge

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Related Compounds

1-[[3-[3-[(2-methylcyclopropanecarbonyl)amino]propanoylamino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 55984604
trans-(1R,2R)-N-[3-(3-acetylanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 39895698
3-(2,3-dichlorophenyl)-N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]propanamide
CID 47042427
N-(3-acetamidophenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide
CID 110686933
N-(3-methylphenyl)-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide
CID 47377806
cis-(1S,2R)-2-methyl-N-[3-[3-(1,3-oxazol-5-yl)anilino]-3-oxopropyl]cyclopropane-1-carboxamide
CID 94796874
1-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-3-[(1R)-1-phenylethyl]urea
CID 94801412
2-methyl-N-[3-[3-[2-(methylamino)-2-oxoethoxy]anilino]-3-oxopropyl]cyclopropane-1-carboxamide
CID 46440401
1-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-3-(pyridin-3-ylmethyl)urea
CID 47039701
N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-4-phenylpiperazine-1-carboxamide
CID 47039681
2-(2,3-dihydro-1H-inden-5-yloxy)-N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]acetamide
CID 51116652
trans-(1R,2R)-N-[3-(3-chloro-4-pyrrolidin-1-ylanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 95294533

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-oxo-3-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]anilino]propyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-methyl-N-[3-oxo-3-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]anilino]propyl]cyclopropane-1-carboxamide (CID 47042436) is 2-methyl-N-[3-oxo-3-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]anilino]propyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-methyl-N-[3-oxo-3-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]anilino]propyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-methyl-N-[3-oxo-3-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]anilino]propyl]cyclopropane-1-carboxamide is CC1CC1C(=O)NCCC(=O)Nc1cccc(CN2CCOC2=O)c1.
What is the InChIKey of 2-methyl-N-[3-oxo-3-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]anilino]propyl]cyclopropane-1-carboxamide?
The InChIKey is CXQMDJOHUCWTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-12-9-15(12)17(23)19-6-5-16(22)20-14-4-2-3-13(10-14)11-21-7-8-25-18(21)24/h2-4,10,12,15H,5-9,11H2,1H3,(H,19,23)(H,20,22).
What are the key properties of 2-methyl-N-[3-oxo-3-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]anilino]propyl]cyclopropane-1-carboxamide?
2-methyl-N-[3-oxo-3-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]anilino]propyl]cyclopropane-1-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-oxo-3-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]anilino]propyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 47042436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).