[1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 4-(cyclopropanecarbonylamino)benzoate

C22H24N2O4 — CID 46792773

IUPAC[1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 4-(cyclopropanecarbonylamino)benzoate
SMILESCC(OC(=O)c1ccc(NC(=O)C2CC2)cc1)C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C22H24N2O4/c1-15(21(26)24(2)14-16-6-4-3-5-7-16)28-22(27)18-10-12-19(13-11-18)23-20(25)17-8-9-17/h3-7,10-13,15,17H,8-9,14H2,1-2H3,(H,23,25)
InChIKeyHLIWHVUIDBGECK-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.24
Rot. Bonds7

About [1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 4-(cyclopropanecarbonylamino)benzoate

[1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 4-(cyclopropanecarbonylamino)benzoate (PubChem CID 46792773) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is [1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 4-(cyclopropanecarbonylamino)benzoate.

Molecular Properties

Compound Name[1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 4-(cyclopropanecarbonylamino)benzoate
PubChem CID46792773
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name[1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 4-(cyclopropanecarbonylamino)benzoate
SMILESCC(OC(=O)c1ccc(NC(=O)C2CC2)cc1)C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C22H24N2O4/c1-15(21(26)24(2)14-16-6-4-3-5-7-16)28-22(27)18-10-12-19(13-11-18)23-20(25)17-8-9-17/h3-7,10-13,15,17H,8-9,14H2,1-2H3,(H,23,25)
InChIKeyHLIWHVUIDBGECK-UHFFFAOYSA-N
XLogP3.24
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(dibenzylamino)-1-oxopropan-2-yl] 4-(cyclopropanecarbonylamino)benzoate
CID 46792741
4-O-[1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 1-O-methyl benzene-1,4-dicarboxylate
CID 42898779
[1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 4-(dimethylsulfamoyl)benzoate
CID 46789221
4-N-benzyl-1-N-(4-methoxyphenyl)-4-N-methylcyclohexane-1,4-dicarboxamide
CID 109148327
[1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoate
CID 55379698
4-N-benzyl-1-N-[4-(dimethylamino)phenyl]-4-N-methylcyclohexane-1,4-dicarboxamide
CID 109148333
[(2S)-1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836607
[1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 2,3-dihydro-1H-indene-5-carboxylate
CID 43012211
[2-[benzyl(ethyl)amino]-2-oxoethyl] 4-(cyclopropanecarbonylamino)benzoate
CID 18085391
N-benzyl-2-methoxy-N-methylpropanamide
CID 112685507
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 4-(cyclopropanecarbonylamino)benzoate
CID 46792730
[1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 4-methyl-3-sulfamoylbenzoate
CID 46660030

Frequently Asked Questions

What is the IUPAC name of [1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 4-(cyclopropanecarbonylamino)benzoate?
The IUPAC name of [1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 4-(cyclopropanecarbonylamino)benzoate (CID 46792773) is [1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 4-(cyclopropanecarbonylamino)benzoate.
What is the SMILES notation for [1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 4-(cyclopropanecarbonylamino)benzoate?
The canonical SMILES for [1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 4-(cyclopropanecarbonylamino)benzoate is CC(OC(=O)c1ccc(NC(=O)C2CC2)cc1)C(=O)N(C)Cc1ccccc1.
What is the InChIKey of [1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 4-(cyclopropanecarbonylamino)benzoate?
The InChIKey is HLIWHVUIDBGECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-15(21(26)24(2)14-16-6-4-3-5-7-16)28-22(27)18-10-12-19(13-11-18)23-20(25)17-8-9-17/h3-7,10-13,15,17H,8-9,14H2,1-2H3,(H,23,25).
What are the key properties of [1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 4-(cyclopropanecarbonylamino)benzoate?
[1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 4-(cyclopropanecarbonylamino)benzoate has a molecular weight of 380.44 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 4-(cyclopropanecarbonylamino)benzoate is sourced from PubChem (CID 46792773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).