methyl N-[3-[[ethyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]amino]phenyl]carbamate

C16H23N3O4 — CID 95314849

IUPACmethyl N-[3-[[ethyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]amino]phenyl]carbamate
SMILESCCN(C[C@H]1CCCO1)C(=O)Nc1cccc(NC(=O)OC)c1
InChIInChI=1S/C16H23N3O4/c1-3-19(11-14-8-5-9-23-14)15(20)17-12-6-4-7-13(10-12)18-16(21)22-2/h4,6-7,10,14H,3,5,8-9,11H2,1-2H3,(H,17,20)(H,18,21)/t14-/m1/s1
InChIKeyMZYZDSWCGORJHD-CQSZACIVSA-N
MW321.38 g/mol
LogP2.90
Rot. Bonds5

About methyl N-[3-[[ethyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]amino]phenyl]carbamate

methyl N-[3-[[ethyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]amino]phenyl]carbamate (PubChem CID 95314849) has the molecular formula C16H23N3O4 and a molecular weight of 321.38 g/mol. Its IUPAC name is methyl N-[3-[[ethyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]amino]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-[[ethyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]amino]phenyl]carbamate
PubChem CID95314849
Molecular FormulaC16H23N3O4
Molecular Weight321.38 g/mol
Exact Mass321.17
IUPAC Namemethyl N-[3-[[ethyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]amino]phenyl]carbamate
SMILESCCN(C[C@H]1CCCO1)C(=O)Nc1cccc(NC(=O)OC)c1
InChIInChI=1S/C16H23N3O4/c1-3-19(11-14-8-5-9-23-14)15(20)17-12-6-4-7-13(10-12)18-16(21)22-2/h4,6-7,10,14H,3,5,8-9,11H2,1-2H3,(H,17,20)(H,18,21)/t14-/m1/s1
InChIKeyMZYZDSWCGORJHD-CQSZACIVSA-N
XLogP2.90
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[3-(oxolan-2-ylmethylamino)phenyl]carbamate
CID 82835955
1-ethyl-1-[[(2S)-oxan-2-yl]methyl]-3-(3-sulfamoylphenyl)urea
CID 97271790
ethyl N-[3-[ethyl-[[(2S)-oxolan-2-yl]methyl]carbamoyl]phenyl]carbamate
CID 94489762
3-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-1-ethyl-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 95258983
3-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]-1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 95258982
3-(3,5-difluoro-4-methoxyphenyl)-1-ethyl-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 95258787
3-(3-chlorophenyl)-1-[2-(dimethylamino)ethyl]-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 52507120
2-methylpropyl N-[3-[[methyl-[[(2S)-oxolan-2-yl]methyl]carbamoyl]amino]phenyl]carbamate
CID 95259052
1-ethyl-1-[[(2R)-oxolan-2-yl]methyl]-3-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylurea
CID 95258509
(2R)-N-[3-[ethyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]phenyl]oxolane-2-carboxamide
CID 94489977
3-[3-(2-methoxyphenyl)phenyl]-1-[[(2R)-oxolan-2-yl]methyl]-1-propylurea
CID 125169984
N-ethyl-N-(oxolan-2-ylmethyl)-3-(propan-2-ylcarbamoylamino)benzamide
CID 47829854

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-[[ethyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]amino]phenyl]carbamate?
The IUPAC name of methyl N-[3-[[ethyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]amino]phenyl]carbamate (CID 95314849) is methyl N-[3-[[ethyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]amino]phenyl]carbamate.
What is the SMILES notation for methyl N-[3-[[ethyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]amino]phenyl]carbamate?
The canonical SMILES for methyl N-[3-[[ethyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]amino]phenyl]carbamate is CCN(C[C@H]1CCCO1)C(=O)Nc1cccc(NC(=O)OC)c1.
What is the InChIKey of methyl N-[3-[[ethyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]amino]phenyl]carbamate?
The InChIKey is MZYZDSWCGORJHD-CQSZACIVSA-N. The full InChI is InChI=1S/C16H23N3O4/c1-3-19(11-14-8-5-9-23-14)15(20)17-12-6-4-7-13(10-12)18-16(21)22-2/h4,6-7,10,14H,3,5,8-9,11H2,1-2H3,(H,17,20)(H,18,21)/t14-/m1/s1.
What are the key properties of methyl N-[3-[[ethyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]amino]phenyl]carbamate?
methyl N-[3-[[ethyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]amino]phenyl]carbamate has a molecular weight of 321.38 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-[[ethyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]amino]phenyl]carbamate is sourced from PubChem (CID 95314849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).