tert-butyl N-(2-ethanimidoyl-4-phenylmethoxyphenyl)carbamate;ethane

C22H30N2O3 — CID 143063494

IUPACtert-butyl N-(2-ethanimidoyl-4-phenylmethoxyphenyl)carbamate;ethane
SMILESCC.[H]/N=C(\C)c1cc(OCc2ccccc2)ccc1NC(=O)OC(C)(C)C
InChIInChI=1S/C20H24N2O3.C2H6/c1-14(21)17-12-16(24-13-15-8-6-5-7-9-15)10-11-18(17)22-19(23)25-20(2,3)4;1-2/h5-12,21H,13H2,1-4H3,(H,22,23);1-2H3/b21-14+;
InChIKeyWFGPBUOAYRVXSZ-UNLLECTCSA-N
MW370.49 g/mol
LogP6.03
Rot. Bonds5

About tert-butyl N-(2-ethanimidoyl-4-phenylmethoxyphenyl)carbamate;ethane

tert-butyl N-(2-ethanimidoyl-4-phenylmethoxyphenyl)carbamate;ethane (PubChem CID 143063494) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is tert-butyl N-(2-ethanimidoyl-4-phenylmethoxyphenyl)carbamate;ethane.

Molecular Properties

Compound Nametert-butyl N-(2-ethanimidoyl-4-phenylmethoxyphenyl)carbamate;ethane
PubChem CID143063494
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC Nametert-butyl N-(2-ethanimidoyl-4-phenylmethoxyphenyl)carbamate;ethane
SMILESCC.[H]/N=C(\C)c1cc(OCc2ccccc2)ccc1NC(=O)OC(C)(C)C
InChIInChI=1S/C20H24N2O3.C2H6/c1-14(21)17-12-16(24-13-15-8-6-5-7-9-15)10-11-18(17)22-19(23)25-20(2,3)4;1-2/h5-12,21H,13H2,1-4H3,(H,22,23);1-2H3/b21-14+;
InChIKeyWFGPBUOAYRVXSZ-UNLLECTCSA-N
XLogP6.03
TPSA71.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.49
LogP ≤ 56.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-(2-hydroxy-4-phenylmethoxyphenyl)carbamate
CID 58020516
ethane;4-phenylmethoxyphthalic acid
CID 90802135
3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylmethoxybenzoic acid
CID 54328163
2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(phenylmethoxycarbonylamino)benzoic acid
CID 23290973
tert-butyl N-[4-[(2-acetamido-4-pyridinyl)methoxy]-2-fluorophenyl]carbamate
CID 166647339
tert-butyl 2-(2-chlorophenyl)-5-phenylmethoxybenzoate
CID 16664137
tert-butyl N-[4-[(2-cyano-5,6,7,8-tetrahydroquinolin-5-yl)oxy]-2-ethanimidoylphenyl]carbamate
CID 156851099
tert-butyl 2-(2-methyl-4-phenylmethoxyphenyl)acetate
CID 70856270
tert-butyl N-[2-(4-phenylmethoxyanilino)ethyl]carbamate
CID 54527689
benzyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylmethoxybenzoate
CID 54325649
tert-butyl N-(3-fluoro-4-phenylmethoxynaphthalen-2-yl)carbamate
CID 171099839
tert-butyl N-[(2-fluoro-5-phenylmethoxyphenyl)methylamino]carbamate
CID 156901287

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-ethanimidoyl-4-phenylmethoxyphenyl)carbamate;ethane?
The IUPAC name of tert-butyl N-(2-ethanimidoyl-4-phenylmethoxyphenyl)carbamate;ethane (CID 143063494) is tert-butyl N-(2-ethanimidoyl-4-phenylmethoxyphenyl)carbamate;ethane.
What is the SMILES notation for tert-butyl N-(2-ethanimidoyl-4-phenylmethoxyphenyl)carbamate;ethane?
The canonical SMILES for tert-butyl N-(2-ethanimidoyl-4-phenylmethoxyphenyl)carbamate;ethane is CC.[H]/N=C(\C)c1cc(OCc2ccccc2)ccc1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(2-ethanimidoyl-4-phenylmethoxyphenyl)carbamate;ethane?
The InChIKey is WFGPBUOAYRVXSZ-UNLLECTCSA-N. The full InChI is InChI=1S/C20H24N2O3.C2H6/c1-14(21)17-12-16(24-13-15-8-6-5-7-9-15)10-11-18(17)22-19(23)25-20(2,3)4;1-2/h5-12,21H,13H2,1-4H3,(H,22,23);1-2H3/b21-14+;.
What are the key properties of tert-butyl N-(2-ethanimidoyl-4-phenylmethoxyphenyl)carbamate;ethane?
tert-butyl N-(2-ethanimidoyl-4-phenylmethoxyphenyl)carbamate;ethane has a molecular weight of 370.49 g/mol, XLogP of 6.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-ethanimidoyl-4-phenylmethoxyphenyl)carbamate;ethane is sourced from PubChem (CID 143063494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).