prop-2-enyl 3-phenyl-2-(phenylmethoxyamino)propanoate

C19H21NO3 — CID 87946650

IUPACprop-2-enyl 3-phenyl-2-(phenylmethoxyamino)propanoate
SMILESC=CCOC(=O)C(Cc1ccccc1)NOCc1ccccc1
InChIInChI=1S/C19H21NO3/c1-2-13-22-19(21)18(14-16-9-5-3-6-10-16)20-23-15-17-11-7-4-8-12-17/h2-12,18,20H,1,13-15H2
InChIKeyKYGWEBSAXPBWLG-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.05
Rot. Bonds9

About prop-2-enyl 3-phenyl-2-(phenylmethoxyamino)propanoate

prop-2-enyl 3-phenyl-2-(phenylmethoxyamino)propanoate (PubChem CID 87946650) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is prop-2-enyl 3-phenyl-2-(phenylmethoxyamino)propanoate.

Molecular Properties

Compound Nameprop-2-enyl 3-phenyl-2-(phenylmethoxyamino)propanoate
PubChem CID87946650
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Nameprop-2-enyl 3-phenyl-2-(phenylmethoxyamino)propanoate
SMILESC=CCOC(=O)C(Cc1ccccc1)NOCc1ccccc1
InChIInChI=1S/C19H21NO3/c1-2-13-22-19(21)18(14-16-9-5-3-6-10-16)20-23-15-17-11-7-4-8-12-17/h2-12,18,20H,1,13-15H2
InChIKeyKYGWEBSAXPBWLG-UHFFFAOYSA-N
XLogP3.05
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

prop-2-enyl 2-acetamido-3-phenylpropanoate
CID 67861806
[(2S)-1-oxo-3-phenyl-1-prop-2-enoxypropan-2-yl]carbamodithioic acid
CID 10755288
prop-2-enyl 2-[(2-bromoacetyl)amino]-3-phenylpropanoate
CID 67861477
prop-2-enyl 2-(pentanoylamino)-3-phenylpropanoate
CID 67861490
prop-2-enyl (2R)-2-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
CID 40578348
(2R)-3-phenyl-2-(prop-2-enoxycarbonylamino)propanoate
CID 7015060
ethyl 3-phenyl-2-(prop-2-enylamino)propanoate
CID 55063338
benzyl (2S)-2-[[(Z)-4-[[(2S)-1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl]amino]but-2-enyl]amino]-3-phenylpropanoate
CID 101163774
prop-2-enyl (2S,4R)-4-amino-2-methyl-5-phenylpentanoate
CID 59197617
prop-2-enyl (2S)-2-(naphthalen-1-ylcarbamoylamino)-3-phenylpropanoate
CID 40634959
3-phenyl-2-[[3-phenyl-2-(prop-2-enoxycarbonylamino)propanoyl]amino]propanoic acid
CID 20643463
prop-2-enyl 2-hydroxy-3-phenylmethoxypropanoate
CID 67804121

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 3-phenyl-2-(phenylmethoxyamino)propanoate?
The IUPAC name of prop-2-enyl 3-phenyl-2-(phenylmethoxyamino)propanoate (CID 87946650) is prop-2-enyl 3-phenyl-2-(phenylmethoxyamino)propanoate.
What is the SMILES notation for prop-2-enyl 3-phenyl-2-(phenylmethoxyamino)propanoate?
The canonical SMILES for prop-2-enyl 3-phenyl-2-(phenylmethoxyamino)propanoate is C=CCOC(=O)C(Cc1ccccc1)NOCc1ccccc1.
What is the InChIKey of prop-2-enyl 3-phenyl-2-(phenylmethoxyamino)propanoate?
The InChIKey is KYGWEBSAXPBWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-2-13-22-19(21)18(14-16-9-5-3-6-10-16)20-23-15-17-11-7-4-8-12-17/h2-12,18,20H,1,13-15H2.
What are the key properties of prop-2-enyl 3-phenyl-2-(phenylmethoxyamino)propanoate?
prop-2-enyl 3-phenyl-2-(phenylmethoxyamino)propanoate has a molecular weight of 311.38 g/mol, XLogP of 3.05, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 3-phenyl-2-(phenylmethoxyamino)propanoate is sourced from PubChem (CID 87946650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).