tert-butyl N-[4-[2-[(2S)-oxolan-2-yl]ethylcarbamoyl]phenyl]carbamate

C18H26N2O4 — CID 31400679

IUPACtert-butyl N-[4-[2-[(2S)-oxolan-2-yl]ethylcarbamoyl]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(C(=O)NCC[C@@H]2CCCO2)cc1
InChIInChI=1S/C18H26N2O4/c1-18(2,3)24-17(22)20-14-8-6-13(7-9-14)16(21)19-11-10-15-5-4-12-23-15/h6-9,15H,4-5,10-12H2,1-3H3,(H,19,21)(H,20,22)/t15-/m0/s1
InChIKeyXPMDBEKEKPDUJW-HNNXBMFYSA-N
MW334.42 g/mol
LogP3.33
Rot. Bonds5

About tert-butyl N-[4-[2-[(2S)-oxolan-2-yl]ethylcarbamoyl]phenyl]carbamate

tert-butyl N-[4-[2-[(2S)-oxolan-2-yl]ethylcarbamoyl]phenyl]carbamate (PubChem CID 31400679) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is tert-butyl N-[4-[2-[(2S)-oxolan-2-yl]ethylcarbamoyl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[2-[(2S)-oxolan-2-yl]ethylcarbamoyl]phenyl]carbamate
PubChem CID31400679
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Nametert-butyl N-[4-[2-[(2S)-oxolan-2-yl]ethylcarbamoyl]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(C(=O)NCC[C@@H]2CCCO2)cc1
InChIInChI=1S/C18H26N2O4/c1-18(2,3)24-17(22)20-14-8-6-13(7-9-14)16(21)19-11-10-15-5-4-12-23-15/h6-9,15H,4-5,10-12H2,1-3H3,(H,19,21)(H,20,22)/t15-/m0/s1
InChIKeyXPMDBEKEKPDUJW-HNNXBMFYSA-N
XLogP3.33
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[4-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]carbamate
CID 713163
4-hydrazinyl-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 62249331
tert-butyl N-[4-[2-[(4-hydroxybenzoyl)amino]ethylcarbamoyl]phenyl]carbamate
CID 55736690
4-[2-(oxan-2-yl)ethylcarbamoyl]benzoic acid
CID 106704122
N-[4-[2-[(2R)-oxolan-2-yl]ethylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 31400597
tert-butyl N-[4-(2-methylsulfanylethylcarbamoyl)phenyl]carbamate
CID 60666349
4-(2,2-dimethylpropanoylamino)-N-(oxolan-2-ylmethyl)benzamide
CID 3540035
4-N-(4-tert-butylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109045641
N-[2-(oxolan-2-yl)ethyl]-4-(trifluoromethylsulfonyl)benzamide
CID 55631834
3-acetamido-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 110745062
4-amino-N-[2-(oxan-2-yl)ethyl]benzamide
CID 83633238
methyl N-[2-(oxolan-2-yl)ethyl]carbamate
CID 110731266

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[2-[(2S)-oxolan-2-yl]ethylcarbamoyl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-[2-[(2S)-oxolan-2-yl]ethylcarbamoyl]phenyl]carbamate (CID 31400679) is tert-butyl N-[4-[2-[(2S)-oxolan-2-yl]ethylcarbamoyl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[2-[(2S)-oxolan-2-yl]ethylcarbamoyl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[2-[(2S)-oxolan-2-yl]ethylcarbamoyl]phenyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(C(=O)NCC[C@@H]2CCCO2)cc1.
What is the InChIKey of tert-butyl N-[4-[2-[(2S)-oxolan-2-yl]ethylcarbamoyl]phenyl]carbamate?
The InChIKey is XPMDBEKEKPDUJW-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-18(2,3)24-17(22)20-14-8-6-13(7-9-14)16(21)19-11-10-15-5-4-12-23-15/h6-9,15H,4-5,10-12H2,1-3H3,(H,19,21)(H,20,22)/t15-/m0/s1.
What are the key properties of tert-butyl N-[4-[2-[(2S)-oxolan-2-yl]ethylcarbamoyl]phenyl]carbamate?
tert-butyl N-[4-[2-[(2S)-oxolan-2-yl]ethylcarbamoyl]phenyl]carbamate has a molecular weight of 334.42 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[2-[(2S)-oxolan-2-yl]ethylcarbamoyl]phenyl]carbamate is sourced from PubChem (CID 31400679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).