5-[[ethyl-[[(2S)-oxan-2-yl]methyl]carbamoyl]amino]-2-methoxy-N-methylbenzamide

C18H27N3O4 — CID 126450011

IUPAC5-[[ethyl-[[(2S)-oxan-2-yl]methyl]carbamoyl]amino]-2-methoxy-N-methylbenzamide
SMILESCCN(C[C@@H]1CCCCO1)C(=O)Nc1ccc(OC)c(C(=O)NC)c1
InChIInChI=1S/C18H27N3O4/c1-4-21(12-14-7-5-6-10-25-14)18(23)20-13-8-9-16(24-3)15(11-13)17(22)19-2/h8-9,11,14H,4-7,10,12H2,1-3H3,(H,19,22)(H,20,23)/t14-/m0/s1
InChIKeyGBZPLGMWBWBURS-AWEZNQCLSA-N
MW349.43 g/mol
LogP2.48
Rot. Bonds6

About 5-[[ethyl-[[(2S)-oxan-2-yl]methyl]carbamoyl]amino]-2-methoxy-N-methylbenzamide

5-[[ethyl-[[(2S)-oxan-2-yl]methyl]carbamoyl]amino]-2-methoxy-N-methylbenzamide (PubChem CID 126450011) has the molecular formula C18H27N3O4 and a molecular weight of 349.43 g/mol. Its IUPAC name is 5-[[ethyl-[[(2S)-oxan-2-yl]methyl]carbamoyl]amino]-2-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name5-[[ethyl-[[(2S)-oxan-2-yl]methyl]carbamoyl]amino]-2-methoxy-N-methylbenzamide
PubChem CID126450011
Molecular FormulaC18H27N3O4
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC Name5-[[ethyl-[[(2S)-oxan-2-yl]methyl]carbamoyl]amino]-2-methoxy-N-methylbenzamide
SMILESCCN(C[C@@H]1CCCCO1)C(=O)Nc1ccc(OC)c(C(=O)NC)c1
InChIInChI=1S/C18H27N3O4/c1-4-21(12-14-7-5-6-10-25-14)18(23)20-13-8-9-16(24-3)15(11-13)17(22)19-2/h8-9,11,14H,4-7,10,12H2,1-3H3,(H,19,22)(H,20,23)/t14-/m0/s1
InChIKeyGBZPLGMWBWBURS-AWEZNQCLSA-N
XLogP2.48
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[3-[[ethyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]amino]phenyl]carbamate
CID 95314849
1-ethyl-1-[[(2S)-oxan-2-yl]methyl]-3-(3-sulfamoylphenyl)urea
CID 97271790
3-(3,5-difluoro-4-methoxyphenyl)-1-ethyl-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 95258787
1-ethyl-3-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-1-[[(2S)-oxan-2-yl]methyl]urea
CID 126441863
1-ethyl-1-(oxan-2-ylmethyl)-3-[4-(tetrazol-1-yl)phenyl]urea
CID 72912485
1-ethyl-1-[[(2R)-oxolan-2-yl]methyl]-3-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylurea
CID 95258509
3-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-1,1-bis(oxolan-2-ylmethyl)urea
CID 47041591
3-(3-chloro-4-methoxyphenyl)-1-(oxolan-2-ylmethyl)-1-(pyridin-3-ylmethyl)urea
CID 55833254
1-ethyl-3-(2-methylsulfanylphenyl)-1-(oxan-2-ylmethyl)urea
CID 131892608
3-[3-(difluoromethoxy)-4-methoxyphenyl]-1-methyl-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 94819523
N-[ethyl(oxolan-2-ylmethyl)carbamothioyl]-3-iodo-4-methoxybenzamide
CID 2967910
3-[3-(2-methoxyphenyl)phenyl]-1-[[(2R)-oxolan-2-yl]methyl]-1-propylurea
CID 125169984

Frequently Asked Questions

What is the IUPAC name of 5-[[ethyl-[[(2S)-oxan-2-yl]methyl]carbamoyl]amino]-2-methoxy-N-methylbenzamide?
The IUPAC name of 5-[[ethyl-[[(2S)-oxan-2-yl]methyl]carbamoyl]amino]-2-methoxy-N-methylbenzamide (CID 126450011) is 5-[[ethyl-[[(2S)-oxan-2-yl]methyl]carbamoyl]amino]-2-methoxy-N-methylbenzamide.
What is the SMILES notation for 5-[[ethyl-[[(2S)-oxan-2-yl]methyl]carbamoyl]amino]-2-methoxy-N-methylbenzamide?
The canonical SMILES for 5-[[ethyl-[[(2S)-oxan-2-yl]methyl]carbamoyl]amino]-2-methoxy-N-methylbenzamide is CCN(C[C@@H]1CCCCO1)C(=O)Nc1ccc(OC)c(C(=O)NC)c1.
What is the InChIKey of 5-[[ethyl-[[(2S)-oxan-2-yl]methyl]carbamoyl]amino]-2-methoxy-N-methylbenzamide?
The InChIKey is GBZPLGMWBWBURS-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H27N3O4/c1-4-21(12-14-7-5-6-10-25-14)18(23)20-13-8-9-16(24-3)15(11-13)17(22)19-2/h8-9,11,14H,4-7,10,12H2,1-3H3,(H,19,22)(H,20,23)/t14-/m0/s1.
What are the key properties of 5-[[ethyl-[[(2S)-oxan-2-yl]methyl]carbamoyl]amino]-2-methoxy-N-methylbenzamide?
5-[[ethyl-[[(2S)-oxan-2-yl]methyl]carbamoyl]amino]-2-methoxy-N-methylbenzamide has a molecular weight of 349.43 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[ethyl-[[(2S)-oxan-2-yl]methyl]carbamoyl]amino]-2-methoxy-N-methylbenzamide is sourced from PubChem (CID 126450011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).