cyclodecyl (3R)-3-benzyl-4-oxo-4-(propylamino)butanoate

C24H37NO3 — CID 146630995

IUPACcyclodecyl (3R)-3-benzyl-4-oxo-4-(propylamino)butanoate
SMILESCCCNC(=O)[C@@H](CC(=O)OC1CCCCCCCCC1)Cc1ccccc1
InChIInChI=1S/C24H37NO3/c1-2-17-25-24(27)21(18-20-13-9-8-10-14-20)19-23(26)28-22-15-11-6-4-3-5-7-12-16-22/h8-10,13-14,21-22H,2-7,11-12,15-19H2,1H3,(H,25,27)/t21-/m1/s1
InChIKeyDNCMKCTUGVEWPG-OAQYLSRUSA-N
MW387.56 g/mol
LogP5.20
Rot. Bonds8

About cyclodecyl (3R)-3-benzyl-4-oxo-4-(propylamino)butanoate

cyclodecyl (3R)-3-benzyl-4-oxo-4-(propylamino)butanoate (PubChem CID 146630995) has the molecular formula C24H37NO3 and a molecular weight of 387.56 g/mol. Its IUPAC name is cyclodecyl (3R)-3-benzyl-4-oxo-4-(propylamino)butanoate.

Molecular Properties

Compound Namecyclodecyl (3R)-3-benzyl-4-oxo-4-(propylamino)butanoate
PubChem CID146630995
Molecular FormulaC24H37NO3
Molecular Weight387.56 g/mol
Exact Mass387.28
IUPAC Namecyclodecyl (3R)-3-benzyl-4-oxo-4-(propylamino)butanoate
SMILESCCCNC(=O)[C@@H](CC(=O)OC1CCCCCCCCC1)Cc1ccccc1
InChIInChI=1S/C24H37NO3/c1-2-17-25-24(27)21(18-20-13-9-8-10-14-20)19-23(26)28-22-15-11-6-4-3-5-7-12-16-22/h8-10,13-14,21-22H,2-7,11-12,15-19H2,1H3,(H,25,27)/t21-/m1/s1
InChIKeyDNCMKCTUGVEWPG-OAQYLSRUSA-N
XLogP5.20
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.56
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze cyclodecyl (3R)-3-benzyl-4-oxo-4-(propylamino)butanoate 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

cyclohexyl 2-phenylacetate;methyl 2-phenylacetate
CID 5314269
cyclohexyl (2S)-2-(methylamino)-3-phenylpropanoate
CID 155077226
cyclooctyl (2S)-2-amino-3-phenylpropanoate
CID 155077382
cyclodecyl (2S)-2-amino-3-phenylpropanoate
CID 166650895
(5,6-dibenzylcyclopentadecyl) propanoate
CID 175150185
butane;3-cyclohexyloxy-3-oxopropanoic acid
CID 70481739
diethyl (2S)-2-benzylbutanedioate
CID 24748926
cyclododecyl 4-phenylbutanoate
CID 23159480
(2S)-2-[[(2S)-2-amino-4-cyclohexyloxy-4-oxobutanoyl]amino]-3-phenylmethoxypropanoic acid
CID 10763089
(2R)-2-benzyl-3-methyl-N-propylbutanamide
CID 143577799
2-benzyl-N-[5-(propan-2-ylamino)pentyl]butanamide
CID 123901383
ethyl (2R)-2-benzyl-3-cyclohexyl-3-oxopropanoate
CID 134946670

Frequently Asked Questions

What is the IUPAC name of cyclodecyl (3R)-3-benzyl-4-oxo-4-(propylamino)butanoate?
The IUPAC name of cyclodecyl (3R)-3-benzyl-4-oxo-4-(propylamino)butanoate (CID 146630995) is cyclodecyl (3R)-3-benzyl-4-oxo-4-(propylamino)butanoate.
What is the SMILES notation for cyclodecyl (3R)-3-benzyl-4-oxo-4-(propylamino)butanoate?
The canonical SMILES for cyclodecyl (3R)-3-benzyl-4-oxo-4-(propylamino)butanoate is CCCNC(=O)[C@@H](CC(=O)OC1CCCCCCCCC1)Cc1ccccc1.
What is the InChIKey of cyclodecyl (3R)-3-benzyl-4-oxo-4-(propylamino)butanoate?
The InChIKey is DNCMKCTUGVEWPG-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H37NO3/c1-2-17-25-24(27)21(18-20-13-9-8-10-14-20)19-23(26)28-22-15-11-6-4-3-5-7-12-16-22/h8-10,13-14,21-22H,2-7,11-12,15-19H2,1H3,(H,25,27)/t21-/m1/s1.
What are the key properties of cyclodecyl (3R)-3-benzyl-4-oxo-4-(propylamino)butanoate?
cyclodecyl (3R)-3-benzyl-4-oxo-4-(propylamino)butanoate has a molecular weight of 387.56 g/mol, XLogP of 5.20, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclodecyl (3R)-3-benzyl-4-oxo-4-(propylamino)butanoate is sourced from PubChem (CID 146630995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).