2-methyl-N-[3-[3-[2-(methylamino)-2-oxoethoxy]anilino]-3-oxopropyl]cyclopropane-1-carboxamide

C17H23N3O4 — CID 46440401

IUPAC2-methyl-N-[3-[3-[2-(methylamino)-2-oxoethoxy]anilino]-3-oxopropyl]cyclopropane-1-carboxamide
SMILESCNC(=O)COc1cccc(NC(=O)CCNC(=O)C2CC2C)c1
InChIInChI=1S/C17H23N3O4/c1-11-8-14(11)17(23)19-7-6-15(21)20-12-4-3-5-13(9-12)24-10-16(22)18-2/h3-5,9,11,14H,6-8,10H2,1-2H3,(H,18,22)(H,19,23)(H,20,21)
InChIKeyVMUNFVJUPZDDOI-UHFFFAOYSA-N
MW333.39 g/mol
LogP0.91
Rot. Bonds8

About 2-methyl-N-[3-[3-[2-(methylamino)-2-oxoethoxy]anilino]-3-oxopropyl]cyclopropane-1-carboxamide

2-methyl-N-[3-[3-[2-(methylamino)-2-oxoethoxy]anilino]-3-oxopropyl]cyclopropane-1-carboxamide (PubChem CID 46440401) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is 2-methyl-N-[3-[3-[2-(methylamino)-2-oxoethoxy]anilino]-3-oxopropyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[3-[3-[2-(methylamino)-2-oxoethoxy]anilino]-3-oxopropyl]cyclopropane-1-carboxamide
PubChem CID46440401
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Name2-methyl-N-[3-[3-[2-(methylamino)-2-oxoethoxy]anilino]-3-oxopropyl]cyclopropane-1-carboxamide
SMILESCNC(=O)COc1cccc(NC(=O)CCNC(=O)C2CC2C)c1
InChIInChI=1S/C17H23N3O4/c1-11-8-14(11)17(23)19-7-6-15(21)20-12-4-3-5-13(9-12)24-10-16(22)18-2/h3-5,9,11,14H,6-8,10H2,1-2H3,(H,18,22)(H,19,23)(H,20,21)
InChIKeyVMUNFVJUPZDDOI-UHFFFAOYSA-N
XLogP0.91
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-[3-[3-[2-(methylamino)-2-oxoethoxy]anilino]-3-oxopropyl]cyclopropane-1-carboxamide with MolForge

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Related Compounds

trans-(1R,2R)-N-[3-(3-acetylanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 39895698
2-amino-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]acetamide
CID 43705402
2-[3-(butylcarbamoylamino)phenoxy]-N-methylacetamide
CID 47202622
3-(4-chlorophenyl)sulfanyl-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]propanamide
CID 34271984
N-[3-(3-butoxyanilino)-3-oxopropyl]cyclohexanecarboxamide
CID 86877953
(2R)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]piperidine-2-carboxamide
CID 103809015
cis-(1R,2S)-N-[3-[3-(4-ethyl-1,2,4-triazol-3-yl)anilino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 32580350
2,2,3,3-tetrafluoro-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]propanamide
CID 103732751
N-[3-[2-[4-(methylcarbamoylamino)anilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 46545768
cis-(1R,2S)-N-[3-[2-(3-methoxyphenyl)ethylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 94178640
trans-(1R,2R)-N-[3-[(2-methoxyacetyl)amino]phenyl]-2-methylcyclopropane-1-carboxamide
CID 38397427
2-methyl-N-[3-oxo-3-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]anilino]propyl]cyclopropane-1-carboxamide
CID 47042436

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[3-[2-(methylamino)-2-oxoethoxy]anilino]-3-oxopropyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-methyl-N-[3-[3-[2-(methylamino)-2-oxoethoxy]anilino]-3-oxopropyl]cyclopropane-1-carboxamide (CID 46440401) is 2-methyl-N-[3-[3-[2-(methylamino)-2-oxoethoxy]anilino]-3-oxopropyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-methyl-N-[3-[3-[2-(methylamino)-2-oxoethoxy]anilino]-3-oxopropyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-methyl-N-[3-[3-[2-(methylamino)-2-oxoethoxy]anilino]-3-oxopropyl]cyclopropane-1-carboxamide is CNC(=O)COc1cccc(NC(=O)CCNC(=O)C2CC2C)c1.
What is the InChIKey of 2-methyl-N-[3-[3-[2-(methylamino)-2-oxoethoxy]anilino]-3-oxopropyl]cyclopropane-1-carboxamide?
The InChIKey is VMUNFVJUPZDDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-11-8-14(11)17(23)19-7-6-15(21)20-12-4-3-5-13(9-12)24-10-16(22)18-2/h3-5,9,11,14H,6-8,10H2,1-2H3,(H,18,22)(H,19,23)(H,20,21).
What are the key properties of 2-methyl-N-[3-[3-[2-(methylamino)-2-oxoethoxy]anilino]-3-oxopropyl]cyclopropane-1-carboxamide?
2-methyl-N-[3-[3-[2-(methylamino)-2-oxoethoxy]anilino]-3-oxopropyl]cyclopropane-1-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 0.91, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[3-[2-(methylamino)-2-oxoethoxy]anilino]-3-oxopropyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 46440401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).