ethyl 2-hydroxy-2,2-bis[4-[2-[[(1R)-1-phenylethyl]amino]propyl]phenyl]acetate

C38H46N2O3 — CID 70441498

IUPACethyl 2-hydroxy-2,2-bis[4-[2-[[(1R)-1-phenylethyl]amino]propyl]phenyl]acetate
SMILESCCOC(=O)C(O)(c1ccc(CC(C)N[C@H](C)c2ccccc2)cc1)c1ccc(CC(C)N[C@H](C)c2ccccc2)cc1
InChIInChI=1S/C38H46N2O3/c1-6-43-37(41)38(42,35-21-17-31(18-22-35)25-27(2)39-29(4)33-13-9-7-10-14-33)36-23-19-32(20-24-36)26-28(3)40-30(5)34-15-11-8-12-16-34/h7-24,27-30,39-40,42H,6,25-26H2,1-5H3/t27?,28?,29-,30-,38?/m1/s1
InChIKeyMEZKABZZQJYLJD-ZXBBPXOTSA-N
MW578.80 g/mol
LogP7.05
Rot. Bonds14

About ethyl 2-hydroxy-2,2-bis[4-[2-[[(1R)-1-phenylethyl]amino]propyl]phenyl]acetate

ethyl 2-hydroxy-2,2-bis[4-[2-[[(1R)-1-phenylethyl]amino]propyl]phenyl]acetate (PubChem CID 70441498) has the molecular formula C38H46N2O3 and a molecular weight of 578.80 g/mol. Its IUPAC name is ethyl 2-hydroxy-2,2-bis[4-[2-[[(1R)-1-phenylethyl]amino]propyl]phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-hydroxy-2,2-bis[4-[2-[[(1R)-1-phenylethyl]amino]propyl]phenyl]acetate
PubChem CID70441498
Molecular FormulaC38H46N2O3
Molecular Weight578.80 g/mol
Exact Mass578.35
IUPAC Nameethyl 2-hydroxy-2,2-bis[4-[2-[[(1R)-1-phenylethyl]amino]propyl]phenyl]acetate
SMILESCCOC(=O)C(O)(c1ccc(CC(C)N[C@H](C)c2ccccc2)cc1)c1ccc(CC(C)N[C@H](C)c2ccccc2)cc1
InChIInChI=1S/C38H46N2O3/c1-6-43-37(41)38(42,35-21-17-31(18-22-35)25-27(2)39-29(4)33-13-9-7-10-14-33)36-23-19-32(20-24-36)26-28(3)40-30(5)34-15-11-8-12-16-34/h7-24,27-30,39-40,42H,6,25-26H2,1-5H3/t27?,28?,29-,30-,38?/m1/s1
InChIKeyMEZKABZZQJYLJD-ZXBBPXOTSA-N
XLogP7.05
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.80
LogP ≤ 57.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze ethyl 2-hydroxy-2,2-bis[4-[2-[[(1R)-1-phenylethyl]amino]propyl]phenyl]acetate with MolForge

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

Launch Full Analysis

Related Compounds

ethyl 3-(4-hydroxyphenyl)-2-(1-phenylethylamino)propanoate
CID 18692564
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-hydroxy-2,2-diphenylacetate
CID 2673402
ethyl 3-phenyl-3-(1-phenylethylamino)propanoate
CID 76738630
ethyl 1-ethyl-5-[(2R)-2-[[(1R)-1-phenylethyl]amino]propyl]indole-2-carboxylate
CID 59979284
ethyl (2S)-2-[[(1S)-1-phenylethyl]amino]butanoate
CID 101344394
2-methyl-3-[3-[(2R)-2-[[(1R)-1-phenylethyl]amino]propyl]phenyl]propanoic acid
CID 68837599
3-[3-[(2R)-2-(1-phenylethylamino)propyl]phenyl]propanoic acid
CID 68719445
ethyl 2,2-bis(4-chlorophenyl)-2-hydroxyacetate
CID 160629016
2-[3-[2-(1-phenylethylamino)propyl]phenyl]propanoic acid
CID 69325178
methyl 2-[3-[(2R)-2-[[(1R)-1-phenylethyl]amino]propyl]phenyl]acetate
CID 46938717
tert-butyl N-[2-[3-[2-[[(1R)-1-phenylethyl]amino]propyl]phenyl]ethyl]carbamate
CID 66781839
2-[3-[(2R)-2-[[(1R)-1-phenylethyl]amino]propyl]phenyl]acetic acid;hydrochloride
CID 68718395

Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-2,2-bis[4-[2-[[(1R)-1-phenylethyl]amino]propyl]phenyl]acetate?
The IUPAC name of ethyl 2-hydroxy-2,2-bis[4-[2-[[(1R)-1-phenylethyl]amino]propyl]phenyl]acetate (CID 70441498) is ethyl 2-hydroxy-2,2-bis[4-[2-[[(1R)-1-phenylethyl]amino]propyl]phenyl]acetate.
What is the SMILES notation for ethyl 2-hydroxy-2,2-bis[4-[2-[[(1R)-1-phenylethyl]amino]propyl]phenyl]acetate?
The canonical SMILES for ethyl 2-hydroxy-2,2-bis[4-[2-[[(1R)-1-phenylethyl]amino]propyl]phenyl]acetate is CCOC(=O)C(O)(c1ccc(CC(C)N[C@H](C)c2ccccc2)cc1)c1ccc(CC(C)N[C@H](C)c2ccccc2)cc1.
What is the InChIKey of ethyl 2-hydroxy-2,2-bis[4-[2-[[(1R)-1-phenylethyl]amino]propyl]phenyl]acetate?
The InChIKey is MEZKABZZQJYLJD-ZXBBPXOTSA-N. The full InChI is InChI=1S/C38H46N2O3/c1-6-43-37(41)38(42,35-21-17-31(18-22-35)25-27(2)39-29(4)33-13-9-7-10-14-33)36-23-19-32(20-24-36)26-28(3)40-30(5)34-15-11-8-12-16-34/h7-24,27-30,39-40,42H,6,25-26H2,1-5H3/t27?,28?,29-,30-,38?/m1/s1.
What are the key properties of ethyl 2-hydroxy-2,2-bis[4-[2-[[(1R)-1-phenylethyl]amino]propyl]phenyl]acetate?
ethyl 2-hydroxy-2,2-bis[4-[2-[[(1R)-1-phenylethyl]amino]propyl]phenyl]acetate has a molecular weight of 578.80 g/mol, XLogP of 7.05, 14 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-2,2-bis[4-[2-[[(1R)-1-phenylethyl]amino]propyl]phenyl]acetate is sourced from PubChem (CID 70441498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).