tert-butyl N-[1-(methylamino)-1-oxo-5-(2-phenylmethoxyphenyl)pent-4-en-2-yl]carbamate

C24H30N2O4 — CID 175536658

IUPACtert-butyl N-[1-(methylamino)-1-oxo-5-(2-phenylmethoxyphenyl)pent-4-en-2-yl]carbamate
SMILESCNC(=O)C(CC=Cc1ccccc1OCc1ccccc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C24H30N2O4/c1-24(2,3)30-23(28)26-20(22(27)25-4)15-10-14-19-13-8-9-16-21(19)29-17-18-11-6-5-7-12-18/h5-14,16,20H,15,17H2,1-4H3,(H,25,27)(H,26,28)
InChIKeyZSRVYQIJHPTOAE-UHFFFAOYSA-N
MW410.51 g/mol
LogP4.31
Rot. Bonds8

About tert-butyl N-[1-(methylamino)-1-oxo-5-(2-phenylmethoxyphenyl)pent-4-en-2-yl]carbamate

tert-butyl N-[1-(methylamino)-1-oxo-5-(2-phenylmethoxyphenyl)pent-4-en-2-yl]carbamate (PubChem CID 175536658) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is tert-butyl N-[1-(methylamino)-1-oxo-5-(2-phenylmethoxyphenyl)pent-4-en-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(methylamino)-1-oxo-5-(2-phenylmethoxyphenyl)pent-4-en-2-yl]carbamate
PubChem CID175536658
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC Nametert-butyl N-[1-(methylamino)-1-oxo-5-(2-phenylmethoxyphenyl)pent-4-en-2-yl]carbamate
SMILESCNC(=O)C(CC=Cc1ccccc1OCc1ccccc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C24H30N2O4/c1-24(2,3)30-23(28)26-20(22(27)25-4)15-10-14-19-13-8-9-16-21(19)29-17-18-11-6-5-7-12-18/h5-14,16,20H,15,17H2,1-4H3,(H,25,27)(H,26,28)
InChIKeyZSRVYQIJHPTOAE-UHFFFAOYSA-N
XLogP4.31
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[5-[(2S)-3-(methylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]-2-phenylmethoxyphenyl] N-ethylcarbamate
CID 68726942
2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-4-(2-phenylmethoxyphenyl)pentanoic acid
CID 175725171
(E,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpent-4-enoate
CID 7009100
tert-butyl N-[(2R)-3-methyl-1-[[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxobutan-2-yl]carbamate
CID 10937708
tert-butyl N-[(1S,2S)-2-(hydroxymethyl)-3-methyl-1-(2-phenylmethoxyphenyl)butyl]carbamate
CID 132595949
(2S,4S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[(E)-3-(4-phenylmethoxyphenyl)prop-2-enyl]pentanedioic acid
CID 89120399
benzyl 3-[3,4-bis(phenylmethoxy)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 18627050
methyl 3-[4-(methylcarbamoyloxy)-3-phenylmethoxyphenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 68727065
tert-butyl N-[1-oxo-3-phenyl-1-(phenylmethoxyamino)propan-2-yl]carbamate
CID 14134551
tert-butyl N-[(1R)-3-oxo-1-(4-phenylmethoxyphenyl)propyl]carbamate
CID 125411765
3-(3-chloro-4-phenylmethoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 170880481
tert-butyl N-[1-oxo-1-[(6-phenylmethoxy-3-pyridinyl)amino]propan-2-yl]carbamate
CID 55960876

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(methylamino)-1-oxo-5-(2-phenylmethoxyphenyl)pent-4-en-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(methylamino)-1-oxo-5-(2-phenylmethoxyphenyl)pent-4-en-2-yl]carbamate (CID 175536658) is tert-butyl N-[1-(methylamino)-1-oxo-5-(2-phenylmethoxyphenyl)pent-4-en-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(methylamino)-1-oxo-5-(2-phenylmethoxyphenyl)pent-4-en-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(methylamino)-1-oxo-5-(2-phenylmethoxyphenyl)pent-4-en-2-yl]carbamate is CNC(=O)C(CC=Cc1ccccc1OCc1ccccc1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-(methylamino)-1-oxo-5-(2-phenylmethoxyphenyl)pent-4-en-2-yl]carbamate?
The InChIKey is ZSRVYQIJHPTOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-24(2,3)30-23(28)26-20(22(27)25-4)15-10-14-19-13-8-9-16-21(19)29-17-18-11-6-5-7-12-18/h5-14,16,20H,15,17H2,1-4H3,(H,25,27)(H,26,28).
What are the key properties of tert-butyl N-[1-(methylamino)-1-oxo-5-(2-phenylmethoxyphenyl)pent-4-en-2-yl]carbamate?
tert-butyl N-[1-(methylamino)-1-oxo-5-(2-phenylmethoxyphenyl)pent-4-en-2-yl]carbamate has a molecular weight of 410.51 g/mol, XLogP of 4.31, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(methylamino)-1-oxo-5-(2-phenylmethoxyphenyl)pent-4-en-2-yl]carbamate is sourced from PubChem (CID 175536658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).