[(Z,4S)-5-cyclohexyl-4-(phenylmethoxycarbonylamino)pent-2-enyl] acetate

C21H29NO4 — CID 10383854

IUPAC[(Z,4S)-5-cyclohexyl-4-(phenylmethoxycarbonylamino)pent-2-enyl] acetate
SMILESCC(=O)OC/C=C\[C@H](CC1CCCCC1)NC(=O)OCc1ccccc1
InChIInChI=1S/C21H29NO4/c1-17(23)25-14-8-13-20(15-18-9-4-2-5-10-18)22-21(24)26-16-19-11-6-3-7-12-19/h3,6-8,11-13,18,20H,2,4-5,9-10,14-16H2,1H3,(H,22,24)/b13-8-/t20-/m1/s1
InChIKeyDCEUGISJWDRCNB-LOJRPPCJSA-N
MW359.47 g/mol
LogP4.37
Rot. Bonds8

About [(Z,4S)-5-cyclohexyl-4-(phenylmethoxycarbonylamino)pent-2-enyl] acetate

[(Z,4S)-5-cyclohexyl-4-(phenylmethoxycarbonylamino)pent-2-enyl] acetate (PubChem CID 10383854) has the molecular formula C21H29NO4 and a molecular weight of 359.47 g/mol. Its IUPAC name is [(Z,4S)-5-cyclohexyl-4-(phenylmethoxycarbonylamino)pent-2-enyl] acetate.

Molecular Properties

Compound Name[(Z,4S)-5-cyclohexyl-4-(phenylmethoxycarbonylamino)pent-2-enyl] acetate
PubChem CID10383854
Molecular FormulaC21H29NO4
Molecular Weight359.47 g/mol
Exact Mass359.21
IUPAC Name[(Z,4S)-5-cyclohexyl-4-(phenylmethoxycarbonylamino)pent-2-enyl] acetate
SMILESCC(=O)OC/C=C\[C@H](CC1CCCCC1)NC(=O)OCc1ccccc1
InChIInChI=1S/C21H29NO4/c1-17(23)25-14-8-13-20(15-18-9-4-2-5-10-18)22-21(24)26-16-19-11-6-3-7-12-19/h3,6-8,11-13,18,20H,2,4-5,9-10,14-16H2,1H3,(H,22,24)/b13-8-/t20-/m1/s1
InChIKeyDCEUGISJWDRCNB-LOJRPPCJSA-N
XLogP4.37
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-3-cyclobutyl-2-(phenylmethoxycarbonylamino)propanoic acid
CID 129372179
benzyl N-[(3R)-3-amino-4-cyclohexylbutan-2-yl]carbamate
CID 67190825
benzyl N-(1-cyclohexylpent-4-en-2-yl)carbamate
CID 11109408
(2S)-3-cyclopropyl-2-(phenylmethoxycarbonylamino)propanoic acid
CID 54104350
[(2S)-2-(phenylmethoxycarbonylamino)but-3-enyl] acetate
CID 11076288
benzyl N-[(2S,3S,5R)-1-cyclohexyl-3-hydroxy-5-(hydroxymethyl)-6-methylheptan-2-yl]carbamate
CID 57124471
benzyl N-(1,1-dicyclopropylpropan-2-yl)carbamate
CID 169081481
benzyl (2R)-3-cyclopropyl-2-(phenylmethoxycarbonylamino)propanoate
CID 139650807
benzyl N-[(2S)-1-[[(1R)-1-amino-2-hydroxyethyl]amino]-3-cyclohexyl-1-oxopropan-2-yl]carbamate
CID 11793083
2-[[2-cyclohexyl-1-(phenylmethoxycarbonylamino)ethyl]-hydroxyphosphoryl]acetic acid
CID 70426751
[2-cyclohexyl-1-(phenylmethoxycarbonylamino)ethyl]-(2-methoxy-2-oxoethyl)phosphinic acid
CID 70426731
benzyl N-[(E)-6-oxo-1-phenylhept-4-en-3-yl]carbamate
CID 102041272

Frequently Asked Questions

What is the IUPAC name of [(Z,4S)-5-cyclohexyl-4-(phenylmethoxycarbonylamino)pent-2-enyl] acetate?
The IUPAC name of [(Z,4S)-5-cyclohexyl-4-(phenylmethoxycarbonylamino)pent-2-enyl] acetate (CID 10383854) is [(Z,4S)-5-cyclohexyl-4-(phenylmethoxycarbonylamino)pent-2-enyl] acetate.
What is the SMILES notation for [(Z,4S)-5-cyclohexyl-4-(phenylmethoxycarbonylamino)pent-2-enyl] acetate?
The canonical SMILES for [(Z,4S)-5-cyclohexyl-4-(phenylmethoxycarbonylamino)pent-2-enyl] acetate is CC(=O)OC/C=C\[C@H](CC1CCCCC1)NC(=O)OCc1ccccc1.
What is the InChIKey of [(Z,4S)-5-cyclohexyl-4-(phenylmethoxycarbonylamino)pent-2-enyl] acetate?
The InChIKey is DCEUGISJWDRCNB-LOJRPPCJSA-N. The full InChI is InChI=1S/C21H29NO4/c1-17(23)25-14-8-13-20(15-18-9-4-2-5-10-18)22-21(24)26-16-19-11-6-3-7-12-19/h3,6-8,11-13,18,20H,2,4-5,9-10,14-16H2,1H3,(H,22,24)/b13-8-/t20-/m1/s1.
What are the key properties of [(Z,4S)-5-cyclohexyl-4-(phenylmethoxycarbonylamino)pent-2-enyl] acetate?
[(Z,4S)-5-cyclohexyl-4-(phenylmethoxycarbonylamino)pent-2-enyl] acetate has a molecular weight of 359.47 g/mol, XLogP of 4.37, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z,4S)-5-cyclohexyl-4-(phenylmethoxycarbonylamino)pent-2-enyl] acetate is sourced from PubChem (CID 10383854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).