propan-2-yl (2R)-2-[[(E,3R,4S)-4-hydroxy-1,5-diphenylpent-1-en-3-yl]amino]-3-phenylpropanoate

C29H33NO3 — CID 56588630

IUPACpropan-2-yl (2R)-2-[[(E,3R,4S)-4-hydroxy-1,5-diphenylpent-1-en-3-yl]amino]-3-phenylpropanoate
SMILESCC(C)OC(=O)[C@@H](Cc1ccccc1)N[C@H](/C=C/c1ccccc1)[C@@H](O)Cc1ccccc1
InChIInChI=1S/C29H33NO3/c1-22(2)33-29(32)27(20-24-14-8-4-9-15-24)30-26(19-18-23-12-6-3-7-13-23)28(31)21-25-16-10-5-11-17-25/h3-19,22,26-28,30-31H,20-21H2,1-2H3/b19-18+/t26-,27-,28+/m1/s1
InChIKeyCIHMHKJHKFWMQB-UGRSGMSJSA-N
MW443.59 g/mol
LogP4.82
Rot. Bonds11

About propan-2-yl (2R)-2-[[(E,3R,4S)-4-hydroxy-1,5-diphenylpent-1-en-3-yl]amino]-3-phenylpropanoate

propan-2-yl (2R)-2-[[(E,3R,4S)-4-hydroxy-1,5-diphenylpent-1-en-3-yl]amino]-3-phenylpropanoate (PubChem CID 56588630) has the molecular formula C29H33NO3 and a molecular weight of 443.59 g/mol. Its IUPAC name is propan-2-yl (2R)-2-[[(E,3R,4S)-4-hydroxy-1,5-diphenylpent-1-en-3-yl]amino]-3-phenylpropanoate.

Molecular Properties

Compound Namepropan-2-yl (2R)-2-[[(E,3R,4S)-4-hydroxy-1,5-diphenylpent-1-en-3-yl]amino]-3-phenylpropanoate
PubChem CID56588630
Molecular FormulaC29H33NO3
Molecular Weight443.59 g/mol
Exact Mass443.25
IUPAC Namepropan-2-yl (2R)-2-[[(E,3R,4S)-4-hydroxy-1,5-diphenylpent-1-en-3-yl]amino]-3-phenylpropanoate
SMILESCC(C)OC(=O)[C@@H](Cc1ccccc1)N[C@H](/C=C/c1ccccc1)[C@@H](O)Cc1ccccc1
InChIInChI=1S/C29H33NO3/c1-22(2)33-29(32)27(20-24-14-8-4-9-15-24)30-26(19-18-23-12-6-3-7-13-23)28(31)21-25-16-10-5-11-17-25/h3-19,22,26-28,30-31H,20-21H2,1-2H3/b19-18+/t26-,27-,28+/m1/s1
InChIKeyCIHMHKJHKFWMQB-UGRSGMSJSA-N
XLogP4.82
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.59
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze propan-2-yl (2R)-2-[[(E,3R,4S)-4-hydroxy-1,5-diphenylpent-1-en-3-yl]amino]-3-phenylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (2R)-2-[[(E,3R,4S)-4-hydroxy-1,5-diphenylpent-1-en-3-yl]amino]-3-phenylpropanoate?
The IUPAC name of propan-2-yl (2R)-2-[[(E,3R,4S)-4-hydroxy-1,5-diphenylpent-1-en-3-yl]amino]-3-phenylpropanoate (CID 56588630) is propan-2-yl (2R)-2-[[(E,3R,4S)-4-hydroxy-1,5-diphenylpent-1-en-3-yl]amino]-3-phenylpropanoate.
What is the SMILES notation for propan-2-yl (2R)-2-[[(E,3R,4S)-4-hydroxy-1,5-diphenylpent-1-en-3-yl]amino]-3-phenylpropanoate?
The canonical SMILES for propan-2-yl (2R)-2-[[(E,3R,4S)-4-hydroxy-1,5-diphenylpent-1-en-3-yl]amino]-3-phenylpropanoate is CC(C)OC(=O)[C@@H](Cc1ccccc1)N[C@H](/C=C/c1ccccc1)[C@@H](O)Cc1ccccc1.
What is the InChIKey of propan-2-yl (2R)-2-[[(E,3R,4S)-4-hydroxy-1,5-diphenylpent-1-en-3-yl]amino]-3-phenylpropanoate?
The InChIKey is CIHMHKJHKFWMQB-UGRSGMSJSA-N. The full InChI is InChI=1S/C29H33NO3/c1-22(2)33-29(32)27(20-24-14-8-4-9-15-24)30-26(19-18-23-12-6-3-7-13-23)28(31)21-25-16-10-5-11-17-25/h3-19,22,26-28,30-31H,20-21H2,1-2H3/b19-18+/t26-,27-,28+/m1/s1.
What are the key properties of propan-2-yl (2R)-2-[[(E,3R,4S)-4-hydroxy-1,5-diphenylpent-1-en-3-yl]amino]-3-phenylpropanoate?
propan-2-yl (2R)-2-[[(E,3R,4S)-4-hydroxy-1,5-diphenylpent-1-en-3-yl]amino]-3-phenylpropanoate has a molecular weight of 443.59 g/mol, XLogP of 4.82, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (2R)-2-[[(E,3R,4S)-4-hydroxy-1,5-diphenylpent-1-en-3-yl]amino]-3-phenylpropanoate is sourced from PubChem (CID 56588630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).