1-[2-[2-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2-oxoethyl]pent-4-enoylamino]propan-2-yl pent-4-enoate

C24H34N2O5 — CID 4295583

IUPAC1-[2-[2-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2-oxoethyl]pent-4-enoylamino]propan-2-yl pent-4-enoate
SMILESC=CCCC(=O)OC(C)CNC(=O)C(CC=C)CC(=O)NC(CO)Cc1ccccc1
InChIInChI=1S/C24H34N2O5/c1-4-6-13-23(29)31-18(3)16-25-24(30)20(10-5-2)15-22(28)26-21(17-27)14-19-11-8-7-9-12-19/h4-5,7-9,11-12,18,20-21,27H,1-2,6,10,13-17H2,3H3,(H,25,30)(H,26,28)
InChIKeyRCRLLMVHCBSLAB-UHFFFAOYSA-N
MW430.55 g/mol
LogP2.30
Rot. Bonds15

About 1-[2-[2-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2-oxoethyl]pent-4-enoylamino]propan-2-yl pent-4-enoate

1-[2-[2-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2-oxoethyl]pent-4-enoylamino]propan-2-yl pent-4-enoate (PubChem CID 4295583) has the molecular formula C24H34N2O5 and a molecular weight of 430.55 g/mol. Its IUPAC name is 1-[2-[2-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2-oxoethyl]pent-4-enoylamino]propan-2-yl pent-4-enoate.

Molecular Properties

Compound Name1-[2-[2-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2-oxoethyl]pent-4-enoylamino]propan-2-yl pent-4-enoate
PubChem CID4295583
Molecular FormulaC24H34N2O5
Molecular Weight430.55 g/mol
Exact Mass430.25
IUPAC Name1-[2-[2-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2-oxoethyl]pent-4-enoylamino]propan-2-yl pent-4-enoate
SMILESC=CCCC(=O)OC(C)CNC(=O)C(CC=C)CC(=O)NC(CO)Cc1ccccc1
InChIInChI=1S/C24H34N2O5/c1-4-6-13-23(29)31-18(3)16-25-24(30)20(10-5-2)15-22(28)26-21(17-27)14-19-11-8-7-9-12-19/h4-5,7-9,11-12,18,20-21,27H,1-2,6,10,13-17H2,3H3,(H,25,30)(H,26,28)
InChIKeyRCRLLMVHCBSLAB-UHFFFAOYSA-N
XLogP2.30
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-1-[[(2S)-2-[2-[[(2S)-1-hydroxy-3-(4-phenylmethoxyphenyl)propan-2-yl]amino]-2-oxoethyl]pent-4-enoyl]amino]propan-2-yl] hex-5-enoate
CID 122411389
2-[[(2R)-2-[2-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]-2-oxoethyl]pent-4-enoyl]amino]ethyl pent-4-enoate
CID 6605307
[(1S)-2-[[(2S)-2-[2-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-2-oxoethyl]pent-4-enoyl]amino]-1-phenylethyl] hept-6-enoate
CID 135739252
[(2S)-2-[[(2R)-2-[2-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-2-oxoethyl]pent-4-enoyl]amino]-3-methylbutyl] pent-4-enoate
CID 6605939
2-[[(2R)-2-[2-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]-2-oxoethyl]pent-4-enoyl]amino]ethyl hept-6-enoate
CID 6605348
N,N'-bis(1-hydroxy-3-phenylpropan-2-yl)-2-prop-2-enylbutanediamide
CID 4070898
[(2R)-3-benzylsulfanyl-2-[[(2R)-2-[2-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]-2-oxoethyl]pent-4-enoyl]amino]propyl] pent-4-enoate
CID 6605805
N'-[1-hydroxy-3-(4-phenylmethoxyphenyl)propan-2-yl]-N-(2-hydroxypropyl)-2-prop-2-enylbutanediamide
CID 3432302
[(2S)-1-[[(2R)-2-[2-[benzyl(2-hydroxyethyl)amino]-2-oxoethyl]pent-4-enoyl]amino]propan-2-yl] pent-4-enoate
CID 6606788
1-[2-[2-(1-hydroxypropan-2-ylamino)-2-oxoethyl]pent-4-enoylamino]propan-2-yl 2-benzylhept-6-enoate
CID 3532629
[(2R)-2-[[(2R)-2-[2-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-2-oxoethyl]pent-4-enoyl]amino]-3-phenylpropyl] (2R)-2-benzylhex-5-enoate
CID 6607296
[2-[[(2R)-2-[2-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-2-oxoethyl]pent-4-enoyl]amino]-2-methylpropyl] hept-6-enoate
CID 6606919

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2-oxoethyl]pent-4-enoylamino]propan-2-yl pent-4-enoate?
The IUPAC name of 1-[2-[2-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2-oxoethyl]pent-4-enoylamino]propan-2-yl pent-4-enoate (CID 4295583) is 1-[2-[2-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2-oxoethyl]pent-4-enoylamino]propan-2-yl pent-4-enoate.
What is the SMILES notation for 1-[2-[2-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2-oxoethyl]pent-4-enoylamino]propan-2-yl pent-4-enoate?
The canonical SMILES for 1-[2-[2-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2-oxoethyl]pent-4-enoylamino]propan-2-yl pent-4-enoate is C=CCCC(=O)OC(C)CNC(=O)C(CC=C)CC(=O)NC(CO)Cc1ccccc1.
What is the InChIKey of 1-[2-[2-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2-oxoethyl]pent-4-enoylamino]propan-2-yl pent-4-enoate?
The InChIKey is RCRLLMVHCBSLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O5/c1-4-6-13-23(29)31-18(3)16-25-24(30)20(10-5-2)15-22(28)26-21(17-27)14-19-11-8-7-9-12-19/h4-5,7-9,11-12,18,20-21,27H,1-2,6,10,13-17H2,3H3,(H,25,30)(H,26,28).
What are the key properties of 1-[2-[2-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2-oxoethyl]pent-4-enoylamino]propan-2-yl pent-4-enoate?
1-[2-[2-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2-oxoethyl]pent-4-enoylamino]propan-2-yl pent-4-enoate has a molecular weight of 430.55 g/mol, XLogP of 2.30, 15 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2-oxoethyl]pent-4-enoylamino]propan-2-yl pent-4-enoate is sourced from PubChem (CID 4295583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).