benzyl N-[(1R)-3-oxo-1-phenyl-2-propanoylpentyl]carbamate

C22H25NO4 — CID 59510766

IUPACbenzyl N-[(1R)-3-oxo-1-phenyl-2-propanoylpentyl]carbamate
SMILESCCC(=O)C(C(=O)CC)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C22H25NO4/c1-3-18(24)20(19(25)4-2)21(17-13-9-6-10-14-17)23-22(26)27-15-16-11-7-5-8-12-16/h5-14,20-21H,3-4,15H2,1-2H3,(H,23,26)/t21-/m0/s1
InChIKeyJWWDGNIIRNFDRS-NRFANRHFSA-N
MW367.45 g/mol
LogP4.23
Rot. Bonds9

About benzyl N-[(1R)-3-oxo-1-phenyl-2-propanoylpentyl]carbamate

benzyl N-[(1R)-3-oxo-1-phenyl-2-propanoylpentyl]carbamate (PubChem CID 59510766) has the molecular formula C22H25NO4 and a molecular weight of 367.45 g/mol. Its IUPAC name is benzyl N-[(1R)-3-oxo-1-phenyl-2-propanoylpentyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(1R)-3-oxo-1-phenyl-2-propanoylpentyl]carbamate
PubChem CID59510766
Molecular FormulaC22H25NO4
Molecular Weight367.45 g/mol
Exact Mass367.18
IUPAC Namebenzyl N-[(1R)-3-oxo-1-phenyl-2-propanoylpentyl]carbamate
SMILESCCC(=O)C(C(=O)CC)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C22H25NO4/c1-3-18(24)20(19(25)4-2)21(17-13-9-6-10-14-17)23-22(26)27-15-16-11-7-5-8-12-16/h5-14,20-21H,3-4,15H2,1-2H3,(H,23,26)/t21-/m0/s1
InChIKeyJWWDGNIIRNFDRS-NRFANRHFSA-N
XLogP4.23
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze benzyl N-[(1R)-3-oxo-1-phenyl-2-propanoylpentyl]carbamate 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

Mdl-28170
CID 72430
Mdl 201053
CID 122019
Benzyloxycarbonyl-L-phenylalanine
CID 70878
(1-(1-Methyl-4,5-Dioxo-Pent-2-Enylcarbamoyl)-2-Phenyl-Ethyl)-Carbamic Acid Benzyl Ester
CID 5287438
benzyl N-({2-methyl-2-[(propan-2-yl)carbamoyl]cyclopropyl}(phenyl)methyl)carbamate
CID 56947089
N-benzyloxycarbonyl-DL-3-phenylalanine
CID 100081
N-(Benzyloxycarbonyl)-D-phenylalanine
CID 675678
Z-FA-Fmk
CID 5311161
Benzyl 1-phenylethylcarbamate
CID 9837961
(S)-Benzyl (1-amino-1-oxo-3-phenylpropan-2-yl)carbamate
CID 2755911
Phenylmethyl N-((1S)-1-(((1-formyl-2-phenylethyl)amino)carbonyl)-2-methylpropyl)carbamate
CID 11199915
N-((Phenylmethoxy)carbonyl)-L-phenylalanine ethyl ester
CID 34309

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(1R)-3-oxo-1-phenyl-2-propanoylpentyl]carbamate?
The IUPAC name of benzyl N-[(1R)-3-oxo-1-phenyl-2-propanoylpentyl]carbamate (CID 59510766) is benzyl N-[(1R)-3-oxo-1-phenyl-2-propanoylpentyl]carbamate.
What is the SMILES notation for benzyl N-[(1R)-3-oxo-1-phenyl-2-propanoylpentyl]carbamate?
The canonical SMILES for benzyl N-[(1R)-3-oxo-1-phenyl-2-propanoylpentyl]carbamate is CCC(=O)C(C(=O)CC)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1.
What is the InChIKey of benzyl N-[(1R)-3-oxo-1-phenyl-2-propanoylpentyl]carbamate?
The InChIKey is JWWDGNIIRNFDRS-NRFANRHFSA-N. The full InChI is InChI=1S/C22H25NO4/c1-3-18(24)20(19(25)4-2)21(17-13-9-6-10-14-17)23-22(26)27-15-16-11-7-5-8-12-16/h5-14,20-21H,3-4,15H2,1-2H3,(H,23,26)/t21-/m0/s1.
What are the key properties of benzyl N-[(1R)-3-oxo-1-phenyl-2-propanoylpentyl]carbamate?
benzyl N-[(1R)-3-oxo-1-phenyl-2-propanoylpentyl]carbamate has a molecular weight of 367.45 g/mol, XLogP of 4.23, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(1R)-3-oxo-1-phenyl-2-propanoylpentyl]carbamate is sourced from PubChem (CID 59510766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).