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

C17H24N2O4 — CID 94489762

IUPACethyl N-[3-[ethyl-[[(2S)-oxolan-2-yl]methyl]carbamoyl]phenyl]carbamate
SMILESCCOC(=O)Nc1cccc(C(=O)N(CC)C[C@@H]2CCCO2)c1
InChIInChI=1S/C17H24N2O4/c1-3-19(12-15-9-6-10-23-15)16(20)13-7-5-8-14(11-13)18-17(21)22-4-2/h5,7-8,11,15H,3-4,6,9-10,12H2,1-2H3,(H,18,21)/t15-/m0/s1
InChIKeyHLZJJEGMPBLVFQ-HNNXBMFYSA-N
MW320.39 g/mol
LogP2.90
Rot. Bonds6

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

ethyl N-[3-[ethyl-[[(2S)-oxolan-2-yl]methyl]carbamoyl]phenyl]carbamate (PubChem CID 94489762) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is ethyl N-[3-[ethyl-[[(2S)-oxolan-2-yl]methyl]carbamoyl]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[3-[ethyl-[[(2S)-oxolan-2-yl]methyl]carbamoyl]phenyl]carbamate
PubChem CID94489762
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Nameethyl N-[3-[ethyl-[[(2S)-oxolan-2-yl]methyl]carbamoyl]phenyl]carbamate
SMILESCCOC(=O)Nc1cccc(C(=O)N(CC)C[C@@H]2CCCO2)c1
InChIInChI=1S/C17H24N2O4/c1-3-19(12-15-9-6-10-23-15)16(20)13-7-5-8-14(11-13)18-17(21)22-4-2/h5,7-8,11,15H,3-4,6,9-10,12H2,1-2H3,(H,18,21)/t15-/m0/s1
InChIKeyHLZJJEGMPBLVFQ-HNNXBMFYSA-N
XLogP2.90
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[3-[ethyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]phenyl]oxolane-2-carboxamide
CID 94489977
N-ethyl-N-(oxolan-2-ylmethyl)-3-(propan-2-ylcarbamoylamino)benzamide
CID 47829854
methyl N-[3-[[ethyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]amino]phenyl]carbamate
CID 95314849
3-(3-aminoprop-1-ynyl)-N-ethyl-N-(oxolan-2-ylmethyl)benzamide
CID 61438969
3-acetamido-N-[[4-(dimethylamino)phenyl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 9120104
3-acetamido-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)benzamide
CID 86840469
methyl 3-[4-[ethyl-[[(2S)-oxolan-2-yl]methyl]carbamoyl]phenyl]benzoate
CID 126432728
2-amino-N-ethyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
CID 55041803
3-acetamido-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)benzamide
CID 55900018
N-(oxolan-2-ylmethyl)-3-(propanoylamino)-N-(pyridin-3-ylmethyl)benzamide
CID 55899400
N-ethyl-3-(4-hydroxyphenyl)-N-(oxan-2-ylmethyl)benzamide
CID 46985309
[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-(oxolan-2-ylmethylsulfanyl)benzoate
CID 55405386

Frequently Asked Questions

What is the IUPAC name of ethyl N-[3-[ethyl-[[(2S)-oxolan-2-yl]methyl]carbamoyl]phenyl]carbamate?
The IUPAC name of ethyl N-[3-[ethyl-[[(2S)-oxolan-2-yl]methyl]carbamoyl]phenyl]carbamate (CID 94489762) is ethyl N-[3-[ethyl-[[(2S)-oxolan-2-yl]methyl]carbamoyl]phenyl]carbamate.
What is the SMILES notation for ethyl N-[3-[ethyl-[[(2S)-oxolan-2-yl]methyl]carbamoyl]phenyl]carbamate?
The canonical SMILES for ethyl N-[3-[ethyl-[[(2S)-oxolan-2-yl]methyl]carbamoyl]phenyl]carbamate is CCOC(=O)Nc1cccc(C(=O)N(CC)C[C@@H]2CCCO2)c1.
What is the InChIKey of ethyl N-[3-[ethyl-[[(2S)-oxolan-2-yl]methyl]carbamoyl]phenyl]carbamate?
The InChIKey is HLZJJEGMPBLVFQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-3-19(12-15-9-6-10-23-15)16(20)13-7-5-8-14(11-13)18-17(21)22-4-2/h5,7-8,11,15H,3-4,6,9-10,12H2,1-2H3,(H,18,21)/t15-/m0/s1.
What are the key properties of ethyl N-[3-[ethyl-[[(2S)-oxolan-2-yl]methyl]carbamoyl]phenyl]carbamate?
ethyl N-[3-[ethyl-[[(2S)-oxolan-2-yl]methyl]carbamoyl]phenyl]carbamate has a molecular weight of 320.39 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[3-[ethyl-[[(2S)-oxolan-2-yl]methyl]carbamoyl]phenyl]carbamate is sourced from PubChem (CID 94489762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).