ethyl 4-(dibenzylamino)-2-formamido-3-hydroxy-5-phenylpentanoate

C28H32N2O4 — CID 563903

IUPACethyl 4-(dibenzylamino)-2-formamido-3-hydroxy-5-phenylpentanoate
SMILESCCOC(=O)C(NC=O)C(O)C(Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C28H32N2O4/c1-2-34-28(33)26(29-21-31)27(32)25(18-22-12-6-3-7-13-22)30(19-23-14-8-4-9-15-23)20-24-16-10-5-11-17-24/h3-17,21,25-27,32H,2,18-20H2,1H3,(H,29,31)
InChIKeyYKTNSLAPBKACLK-UHFFFAOYSA-N
MW460.57 g/mol
LogP3.34
Rot. Bonds13

About ethyl 4-(dibenzylamino)-2-formamido-3-hydroxy-5-phenylpentanoate

ethyl 4-(dibenzylamino)-2-formamido-3-hydroxy-5-phenylpentanoate (PubChem CID 563903) has the molecular formula C28H32N2O4 and a molecular weight of 460.57 g/mol. Its IUPAC name is ethyl 4-(dibenzylamino)-2-formamido-3-hydroxy-5-phenylpentanoate.

Molecular Properties

Compound Nameethyl 4-(dibenzylamino)-2-formamido-3-hydroxy-5-phenylpentanoate
PubChem CID563903
Molecular FormulaC28H32N2O4
Molecular Weight460.57 g/mol
Exact Mass460.24
IUPAC Nameethyl 4-(dibenzylamino)-2-formamido-3-hydroxy-5-phenylpentanoate
SMILESCCOC(=O)C(NC=O)C(O)C(Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C28H32N2O4/c1-2-34-28(33)26(29-21-31)27(32)25(18-22-12-6-3-7-13-22)30(19-23-14-8-4-9-15-23)20-24-16-10-5-11-17-24/h3-17,21,25-27,32H,2,18-20H2,1H3,(H,29,31)
InChIKeyYKTNSLAPBKACLK-UHFFFAOYSA-N
XLogP3.34
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.57
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 4-(dibenzylamino)-2-formamido-3-hydroxy-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

tert-butyl N-[(2S,3S,5R)-5-benzyl-5-(benzylcarbamoyl)-3-hydroxy-1-phenylpentan-2-yl]carbamate
CID 6326370
tert-butyl N-[(2S,3S,5R)-5-benzyl-5-{[(S)-{[3-(dimethylamino)propyl]carbamoyl}(phenyl)methyl]carbamoyl}-3-hydroxy-1-phenylpentan-2-yl]carbamate
CID 453532
L-Lyxonamide, 4-((2-((6-amino-1-oxohexyl)amino)-3-methyl-1-oxobutyl)amino)-2,4,5-trideoxy-N-(2-methyl-1-(((phenylmethyl)amino)carbonyl)propyl)-5-phenyl-2-((phenylmethyl)amino)-, (1(S),4(S))-
CID 460227
((1S,2S,3R)-1-Benzyl-3-benzylamino-3-benzylcarbamoyl-2-hydroxy-propyl)-carbamic acid tert-butyl ester
CID 462714
Phenylalanyl-glycyl-valyl-statyl-alanyl-phenylalanine methyl ester
CID 194955
tert-butyl N-[(1S)-1-{[(2S,3R,4R)-4-(benzylamino)-4-{[(1S)-1-(benzylcarbamoyl)-2-methylpropyl]carbamoyl}-3-hydroxy-1-phenylbutan-2-yl]carbamoyl}-2-methylpropyl]carbamate
CID 5327532
(2R,3R,4S)-N-(2-(Benzylamino)-4-((N-((benzyloxy)carbonyl)valyl)amino)-3-hydroxy-5-phenylpentanoyl)valine ethyl ester
CID 460232
(4S,5S)-5-[(2S)-2-[(2S)-2-aminopropanamido]propanamido]-N-(diphenylmethyl)-4-hydroxy-6-phenylhexanamide
CID 462817
methyl (2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(3S,4S)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-methylpentanoyl]amino]-3-phenylpropanoate
CID 44294936
{1-[1-(1-{2-[1-(Benzylamino-methyl)-3-methyl-butylcarbamoyl]-1-hydroxy-ethyl}-3-methyl-butylcarbamoyl)-2-phenyl-ethylcarbamoyl]-2-phenyl-ethyl}-carbamic acid tert-butyl ester
CID 90663934
methyl (2S)-2-[[(3S,4S)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoyl]amino]-3-phenylpropanoate
CID 10695695
ethyl (3S,4S)-3-hydroxy-4-[[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]butanoyl]amino]-5-phenylpentanoate
CID 14557520

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(dibenzylamino)-2-formamido-3-hydroxy-5-phenylpentanoate?
The IUPAC name of ethyl 4-(dibenzylamino)-2-formamido-3-hydroxy-5-phenylpentanoate (CID 563903) is ethyl 4-(dibenzylamino)-2-formamido-3-hydroxy-5-phenylpentanoate.
What is the SMILES notation for ethyl 4-(dibenzylamino)-2-formamido-3-hydroxy-5-phenylpentanoate?
The canonical SMILES for ethyl 4-(dibenzylamino)-2-formamido-3-hydroxy-5-phenylpentanoate is CCOC(=O)C(NC=O)C(O)C(Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of ethyl 4-(dibenzylamino)-2-formamido-3-hydroxy-5-phenylpentanoate?
The InChIKey is YKTNSLAPBKACLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O4/c1-2-34-28(33)26(29-21-31)27(32)25(18-22-12-6-3-7-13-22)30(19-23-14-8-4-9-15-23)20-24-16-10-5-11-17-24/h3-17,21,25-27,32H,2,18-20H2,1H3,(H,29,31).
What are the key properties of ethyl 4-(dibenzylamino)-2-formamido-3-hydroxy-5-phenylpentanoate?
ethyl 4-(dibenzylamino)-2-formamido-3-hydroxy-5-phenylpentanoate has a molecular weight of 460.57 g/mol, XLogP of 3.34, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(dibenzylamino)-2-formamido-3-hydroxy-5-phenylpentanoate is sourced from PubChem (CID 563903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).