ethyl 3-amino-4-(dibenzylamino)-5-phenylpentanoate

C27H32N2O2 — CID 563906

IUPACethyl 3-amino-4-(dibenzylamino)-5-phenylpentanoate
SMILESCCOC(=O)CC(N)C(Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C27H32N2O2/c1-2-31-27(30)19-25(28)26(18-22-12-6-3-7-13-22)29(20-23-14-8-4-9-15-23)21-24-16-10-5-11-17-24/h3-17,25-26H,2,18-21,28H2,1H3
InChIKeyDTUOZZTYNDLQMR-UHFFFAOYSA-N
MW416.57 g/mol
LogP4.58
Rot. Bonds11

About ethyl 3-amino-4-(dibenzylamino)-5-phenylpentanoate

ethyl 3-amino-4-(dibenzylamino)-5-phenylpentanoate (PubChem CID 563906) has the molecular formula C27H32N2O2 and a molecular weight of 416.57 g/mol. Its IUPAC name is ethyl 3-amino-4-(dibenzylamino)-5-phenylpentanoate.

Molecular Properties

Compound Nameethyl 3-amino-4-(dibenzylamino)-5-phenylpentanoate
PubChem CID563906
Molecular FormulaC27H32N2O2
Molecular Weight416.57 g/mol
Exact Mass416.25
IUPAC Nameethyl 3-amino-4-(dibenzylamino)-5-phenylpentanoate
SMILESCCOC(=O)CC(N)C(Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C27H32N2O2/c1-2-31-27(30)19-25(28)26(18-22-12-6-3-7-13-22)29(20-23-14-8-4-9-15-23)21-24-16-10-5-11-17-24/h3-17,25-26H,2,18-21,28H2,1H3
InChIKeyDTUOZZTYNDLQMR-UHFFFAOYSA-N
XLogP4.58
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 3-amino-4-(dibenzylamino)-5-phenylpentanoate 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

Acetic acid, diphenyl-, beta-(diethylamino)phenethyl ester, hydrochloride
CID 57014
Ethyl 4-phenyl-1-(1-phenylcyclohexyl)piperidine-4-carboxylate--hydrogen bromide (1/1)
CID 59333
2-(4-Methylpiperazin-1-yl)-2-phenylethyl diphenylacetate--hydrogen chloride (1/1)
CID 59602
4-Piperidinol, 1-benzyl-2,2,6,6-tetramethyl-, hydrocinnamate
CID 64838
Ethyl 3-(4-fluorophenyl)-3-(octylamino)propanoate
CID 16078853
ethyl 3-[[(2S)-2-aminopropanoyl]amino]-3-phenylpropanoate
CID 44390928
[(2S)-2-[[(2S)-2-(benzylamino)-3-phenylpropanoyl]amino]-3-phenylpropyl] acetate
CID 162924031
ethyl (2R,3R)-1-benzhydryl-3-phenylaziridine-2-carboxylate
CID 10882844
tert-butyl (2S,3S)-3-[benzyl-[(1S)-1-phenylethyl]amino]-2-fluoro-3-phenylpropanoate
CID 11293421
ethyl (2R,3S,4R)-3-fluoro-2,4-diphenylpyrrolidine-3-carboxylate
CID 134941635
methyl (2R)-3-[bis(prop-2-enyl)amino]-2-[bis[4-(trifluoromethyl)phenyl]methylamino]-3-phenylpropanoate
CID 135002868
methyl (2R)-2-[bis[4-(trifluoromethyl)phenyl]methylamino]-3-(dipropylamino)-3-phenylpropanoate
CID 135002869

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-4-(dibenzylamino)-5-phenylpentanoate?
The IUPAC name of ethyl 3-amino-4-(dibenzylamino)-5-phenylpentanoate (CID 563906) is ethyl 3-amino-4-(dibenzylamino)-5-phenylpentanoate.
What is the SMILES notation for ethyl 3-amino-4-(dibenzylamino)-5-phenylpentanoate?
The canonical SMILES for ethyl 3-amino-4-(dibenzylamino)-5-phenylpentanoate is CCOC(=O)CC(N)C(Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of ethyl 3-amino-4-(dibenzylamino)-5-phenylpentanoate?
The InChIKey is DTUOZZTYNDLQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O2/c1-2-31-27(30)19-25(28)26(18-22-12-6-3-7-13-22)29(20-23-14-8-4-9-15-23)21-24-16-10-5-11-17-24/h3-17,25-26H,2,18-21,28H2,1H3.
What are the key properties of ethyl 3-amino-4-(dibenzylamino)-5-phenylpentanoate?
ethyl 3-amino-4-(dibenzylamino)-5-phenylpentanoate has a molecular weight of 416.57 g/mol, XLogP of 4.58, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-4-(dibenzylamino)-5-phenylpentanoate is sourced from PubChem (CID 563906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).