9H-fluoren-9-ylmethyl 4-[2-oxopentyl(3-phenylpropanoyl)amino]butanoate

C32H35NO4 — CID 159174762

IUPAC9H-fluoren-9-ylmethyl 4-[2-oxopentyl(3-phenylpropanoyl)amino]butanoate
SMILESCCCC(=O)CN(CCCC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)CCc1ccccc1
InChIInChI=1S/C32H35NO4/c1-2-11-25(34)22-33(31(35)20-19-24-12-4-3-5-13-24)21-10-18-32(36)37-23-30-28-16-8-6-14-26(28)27-15-7-9-17-29(27)30/h3-9,12-17,30H,2,10-11,18-23H2,1H3
InChIKeyLISZBWVKZATCMS-UHFFFAOYSA-N
MW497.64 g/mol
LogP5.95
Rot. Bonds13

About 9H-fluoren-9-ylmethyl 4-[2-oxopentyl(3-phenylpropanoyl)amino]butanoate

9H-fluoren-9-ylmethyl 4-[2-oxopentyl(3-phenylpropanoyl)amino]butanoate (PubChem CID 159174762) has the molecular formula C32H35NO4 and a molecular weight of 497.64 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl 4-[2-oxopentyl(3-phenylpropanoyl)amino]butanoate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl 4-[2-oxopentyl(3-phenylpropanoyl)amino]butanoate
PubChem CID159174762
Molecular FormulaC32H35NO4
Molecular Weight497.64 g/mol
Exact Mass497.26
IUPAC Name9H-fluoren-9-ylmethyl 4-[2-oxopentyl(3-phenylpropanoyl)amino]butanoate
SMILESCCCC(=O)CN(CCCC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)CCc1ccccc1
InChIInChI=1S/C32H35NO4/c1-2-11-25(34)22-33(31(35)20-19-24-12-4-3-5-13-24)21-10-18-32(36)37-23-30-28-16-8-6-14-26(28)27-15-7-9-17-29(27)30/h3-9,12-17,30H,2,10-11,18-23H2,1H3
InChIKeyLISZBWVKZATCMS-UHFFFAOYSA-N
XLogP5.95
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.64
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9H-fluoren-9-ylmethyl 4-[2-oxopentyl(3-phenylpropanoyl)amino]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

2-[[4-(9H-fluoren-9-ylmethoxy)-4-oxobutyl]-propanoylamino]acetic acid
CID 59806874
2-[9H-fluoren-9-ylmethoxycarbonyl(pentyl)amino]acetic acid
CID 125449008
22-(9H-fluoren-9-ylmethoxy)-8,15,22-trioxodocosanoic acid
CID 149410071
2-[9H-fluoren-9-ylmethoxycarbonyl-[4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl]amino]acetic acid
CID 10836802
N,N-dihexyl-3-phenylpropanamide
CID 532921
9H-fluoren-9-ylmethyl 2-phenylacetate
CID 90913061
7-O-amino 1-O-(9H-fluoren-9-ylmethyl) heptanedioate
CID 175239648
2-[4-(9H-fluoren-9-ylmethoxy)-4-oxobutoxy]ethyl 2-bromo-2-methylpropanoate
CID 159835092
9H-fluoren-9-ylmethyl 7-methyloctanoate
CID 167509149
ethyl 5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoate
CID 157220460
9H-fluoren-9-ylmethyl N-hydroxy-N-propylcarbamate
CID 86810454
N-(2-aminoethyl)-3-phenyl-N-propylpropanamide
CID 61348391

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl 4-[2-oxopentyl(3-phenylpropanoyl)amino]butanoate?
The IUPAC name of 9H-fluoren-9-ylmethyl 4-[2-oxopentyl(3-phenylpropanoyl)amino]butanoate (CID 159174762) is 9H-fluoren-9-ylmethyl 4-[2-oxopentyl(3-phenylpropanoyl)amino]butanoate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl 4-[2-oxopentyl(3-phenylpropanoyl)amino]butanoate?
The canonical SMILES for 9H-fluoren-9-ylmethyl 4-[2-oxopentyl(3-phenylpropanoyl)amino]butanoate is CCCC(=O)CN(CCCC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)CCc1ccccc1.
What is the InChIKey of 9H-fluoren-9-ylmethyl 4-[2-oxopentyl(3-phenylpropanoyl)amino]butanoate?
The InChIKey is LISZBWVKZATCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35NO4/c1-2-11-25(34)22-33(31(35)20-19-24-12-4-3-5-13-24)21-10-18-32(36)37-23-30-28-16-8-6-14-26(28)27-15-7-9-17-29(27)30/h3-9,12-17,30H,2,10-11,18-23H2,1H3.
What are the key properties of 9H-fluoren-9-ylmethyl 4-[2-oxopentyl(3-phenylpropanoyl)amino]butanoate?
9H-fluoren-9-ylmethyl 4-[2-oxopentyl(3-phenylpropanoyl)amino]butanoate has a molecular weight of 497.64 g/mol, XLogP of 5.95, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl 4-[2-oxopentyl(3-phenylpropanoyl)amino]butanoate is sourced from PubChem (CID 159174762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).