[(Z)-3-[2-[[1-(phenylmethoxycarbonylamino)cyclobutanecarbonyl]amino]phenyl]prop-2-enyl] acetate

C24H26N2O5 — CID 101384730

IUPAC[(Z)-3-[2-[[1-(phenylmethoxycarbonylamino)cyclobutanecarbonyl]amino]phenyl]prop-2-enyl] acetate
SMILESCC(=O)OC/C=C\c1ccccc1NC(=O)C1(NC(=O)OCc2ccccc2)CCC1
InChIInChI=1S/C24H26N2O5/c1-18(27)30-16-7-12-20-11-5-6-13-21(20)25-22(28)24(14-8-15-24)26-23(29)31-17-19-9-3-2-4-10-19/h2-7,9-13H,8,14-17H2,1H3,(H,25,28)(H,26,29)/b12-7-
InChIKeyVIQRTGRYJUIWAJ-GHXNOFRVSA-N
MW422.48 g/mol
LogP4.05
Rot. Bonds8

About [(Z)-3-[2-[[1-(phenylmethoxycarbonylamino)cyclobutanecarbonyl]amino]phenyl]prop-2-enyl] acetate

[(Z)-3-[2-[[1-(phenylmethoxycarbonylamino)cyclobutanecarbonyl]amino]phenyl]prop-2-enyl] acetate (PubChem CID 101384730) has the molecular formula C24H26N2O5 and a molecular weight of 422.48 g/mol. Its IUPAC name is [(Z)-3-[2-[[1-(phenylmethoxycarbonylamino)cyclobutanecarbonyl]amino]phenyl]prop-2-enyl] acetate.

Molecular Properties

Compound Name[(Z)-3-[2-[[1-(phenylmethoxycarbonylamino)cyclobutanecarbonyl]amino]phenyl]prop-2-enyl] acetate
PubChem CID101384730
Molecular FormulaC24H26N2O5
Molecular Weight422.48 g/mol
Exact Mass422.18
IUPAC Name[(Z)-3-[2-[[1-(phenylmethoxycarbonylamino)cyclobutanecarbonyl]amino]phenyl]prop-2-enyl] acetate
SMILESCC(=O)OC/C=C\c1ccccc1NC(=O)C1(NC(=O)OCc2ccccc2)CCC1
InChIInChI=1S/C24H26N2O5/c1-18(27)30-16-7-12-20-11-5-6-13-21(20)25-22(28)24(14-8-15-24)26-23(29)31-17-19-9-3-2-4-10-19/h2-7,9-13H,8,14-17H2,1H3,(H,25,28)(H,26,29)/b12-7-
InChIKeyVIQRTGRYJUIWAJ-GHXNOFRVSA-N
XLogP4.05
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(Z)-3-[2-[[1-(phenylmethoxycarbonylamino)cyclobutanecarbonyl]amino]phenyl]prop-2-enyl] acetate with MolForge

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Related Compounds

benzyl N-[1-[(3-methyl-1-oxobutan-2-yl)carbamoyl]cyclohexyl]carbamate
CID 74341663
(2S)-3-methyl-2-[[1-(phenylmethoxycarbonylamino)cyclohexanecarbonyl]amino]butanoic acid
CID 24740123
methyl (2S)-2-[[1-(phenylmethoxycarbonylamino)cycloheptanecarbonyl]amino]propanoate
CID 10690938
(2R)-2-[[1-(phenylmethoxycarbonylamino)cyclopropanecarbonyl]amino]propanoic acid
CID 70234502
methyl 3-(phenylmethoxycarbonylamino)oxetane-3-carboxylate
CID 129285191
2-trimethylsilylethyl 1-(phenylmethoxycarbonylamino)cyclohexane-1-carboxylate
CID 23252917
methyl (2R,3R)-8-[[(2R,3R)-2,3-dimethyl-8-(phenylmethoxycarbonylamino)-1,4-dioxaspiro[4.5]decane-8-carbonyl]amino]-2,3-dimethyl-1,4-dioxaspiro[4.5]decane-8-carboxylate
CID 101481496
(E)-4-[1-(phenylmethoxycarbonylamino)cyclobutyl]but-2-enoic acid
CID 167736065
methyl (2R,3R)-2,3-dimethyl-8-(phenylmethoxycarbonylamino)-1,4-dioxaspiro[4.5]decane-8-carboxylate
CID 101468170
benzyl N-[3-[2-[(2-hydroxyiminoacetyl)amino]phenyl]prop-2-enyl]carbamate
CID 169472487
benzyl N-[1-(1-hydroxyhexan-2-ylcarbamoyl)cyclohexyl]carbamate
CID 74341660
[(Z,4S)-5-cyclohexyl-4-(phenylmethoxycarbonylamino)pent-2-enyl] acetate
CID 10383854

Frequently Asked Questions

What is the IUPAC name of [(Z)-3-[2-[[1-(phenylmethoxycarbonylamino)cyclobutanecarbonyl]amino]phenyl]prop-2-enyl] acetate?
The IUPAC name of [(Z)-3-[2-[[1-(phenylmethoxycarbonylamino)cyclobutanecarbonyl]amino]phenyl]prop-2-enyl] acetate (CID 101384730) is [(Z)-3-[2-[[1-(phenylmethoxycarbonylamino)cyclobutanecarbonyl]amino]phenyl]prop-2-enyl] acetate.
What is the SMILES notation for [(Z)-3-[2-[[1-(phenylmethoxycarbonylamino)cyclobutanecarbonyl]amino]phenyl]prop-2-enyl] acetate?
The canonical SMILES for [(Z)-3-[2-[[1-(phenylmethoxycarbonylamino)cyclobutanecarbonyl]amino]phenyl]prop-2-enyl] acetate is CC(=O)OC/C=C\c1ccccc1NC(=O)C1(NC(=O)OCc2ccccc2)CCC1.
What is the InChIKey of [(Z)-3-[2-[[1-(phenylmethoxycarbonylamino)cyclobutanecarbonyl]amino]phenyl]prop-2-enyl] acetate?
The InChIKey is VIQRTGRYJUIWAJ-GHXNOFRVSA-N. The full InChI is InChI=1S/C24H26N2O5/c1-18(27)30-16-7-12-20-11-5-6-13-21(20)25-22(28)24(14-8-15-24)26-23(29)31-17-19-9-3-2-4-10-19/h2-7,9-13H,8,14-17H2,1H3,(H,25,28)(H,26,29)/b12-7-.
What are the key properties of [(Z)-3-[2-[[1-(phenylmethoxycarbonylamino)cyclobutanecarbonyl]amino]phenyl]prop-2-enyl] acetate?
[(Z)-3-[2-[[1-(phenylmethoxycarbonylamino)cyclobutanecarbonyl]amino]phenyl]prop-2-enyl] acetate has a molecular weight of 422.48 g/mol, XLogP of 4.05, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3-[2-[[1-(phenylmethoxycarbonylamino)cyclobutanecarbonyl]amino]phenyl]prop-2-enyl] acetate is sourced from PubChem (CID 101384730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).