9H-fluoren-9-ylmethyl N-[2-[[4-methyl-5-(methylamino)-5-oxopentyl]amino]-2-oxoethyl]carbamate

C24H29N3O4 — CID 118407693

IUPAC9H-fluoren-9-ylmethyl N-[2-[[4-methyl-5-(methylamino)-5-oxopentyl]amino]-2-oxoethyl]carbamate
SMILESCNC(=O)C(C)CCCNC(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H29N3O4/c1-16(23(29)25-2)8-7-13-26-22(28)14-27-24(30)31-15-21-19-11-5-3-9-17(19)18-10-4-6-12-20(18)21/h3-6,9-12,16,21H,7-8,13-15H2,1-2H3,(H,25,29)(H,26,28)(H,27,30)
InChIKeyFIDPDSAOBFBHAW-UHFFFAOYSA-N
MW423.51 g/mol
LogP2.80
Rot. Bonds9

About 9H-fluoren-9-ylmethyl N-[2-[[4-methyl-5-(methylamino)-5-oxopentyl]amino]-2-oxoethyl]carbamate

9H-fluoren-9-ylmethyl N-[2-[[4-methyl-5-(methylamino)-5-oxopentyl]amino]-2-oxoethyl]carbamate (PubChem CID 118407693) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[2-[[4-methyl-5-(methylamino)-5-oxopentyl]amino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[2-[[4-methyl-5-(methylamino)-5-oxopentyl]amino]-2-oxoethyl]carbamate
PubChem CID118407693
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC Name9H-fluoren-9-ylmethyl N-[2-[[4-methyl-5-(methylamino)-5-oxopentyl]amino]-2-oxoethyl]carbamate
SMILESCNC(=O)C(C)CCCNC(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H29N3O4/c1-16(23(29)25-2)8-7-13-26-22(28)14-27-24(30)31-15-21-19-11-5-3-9-17(19)18-10-4-6-12-20(18)21/h3-6,9-12,16,21H,7-8,13-15H2,1-2H3,(H,25,29)(H,26,28)(H,27,30)
InChIKeyFIDPDSAOBFBHAW-UHFFFAOYSA-N
XLogP2.80
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 9H-fluoren-9-ylmethyl N-[2-[[4-methyl-5-(methylamino)-5-oxopentyl]amino]-2-oxoethyl]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

9H-fluoren-9-ylmethyl N-[2-(4,4-dihydroxybutylamino)-2-oxoethyl]carbamate
CID 139455954
9H-fluoren-9-ylmethyl N-[2-(octadecylamino)-2-oxoethyl]carbamate
CID 102308355
4-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]butanoic acid
CID 118448290
(2S)-6-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylhexanoic acid
CID 90132724
5-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propyl]pentanoic acid
CID 156889446
4-(1-carboxyethylamino)-3-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]-4-oxobutanoic acid
CID 22078231
(2R)-2-[[2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]acetyl]amino]propanoic acid
CID 165482688
dimethyl 2-[[2-[[2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]acetyl]amino]acetyl]amino]propanedioate
CID 141226367
(2S)-6-amino-2-[[2-[[2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]acetyl]amino]acetyl]amino]hexanoic acid
CID 171853524
9H-fluoren-9-ylmethyl N-(4,4-difluorobutyl)carbamate
CID 164675149
tert-butyl N-[2-[[2-[[2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]acetyl]amino]acetyl]amino]ethyl]carbamate
CID 170946250
tert-butyl N-[5-(9H-fluoren-9-ylmethoxycarbonylamino)-6-(methylamino)-6-oxohexyl]carbamate
CID 135015939

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[2-[[4-methyl-5-(methylamino)-5-oxopentyl]amino]-2-oxoethyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[2-[[4-methyl-5-(methylamino)-5-oxopentyl]amino]-2-oxoethyl]carbamate (CID 118407693) is 9H-fluoren-9-ylmethyl N-[2-[[4-methyl-5-(methylamino)-5-oxopentyl]amino]-2-oxoethyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[2-[[4-methyl-5-(methylamino)-5-oxopentyl]amino]-2-oxoethyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[2-[[4-methyl-5-(methylamino)-5-oxopentyl]amino]-2-oxoethyl]carbamate is CNC(=O)C(C)CCCNC(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[2-[[4-methyl-5-(methylamino)-5-oxopentyl]amino]-2-oxoethyl]carbamate?
The InChIKey is FIDPDSAOBFBHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4/c1-16(23(29)25-2)8-7-13-26-22(28)14-27-24(30)31-15-21-19-11-5-3-9-17(19)18-10-4-6-12-20(18)21/h3-6,9-12,16,21H,7-8,13-15H2,1-2H3,(H,25,29)(H,26,28)(H,27,30).
What are the key properties of 9H-fluoren-9-ylmethyl N-[2-[[4-methyl-5-(methylamino)-5-oxopentyl]amino]-2-oxoethyl]carbamate?
9H-fluoren-9-ylmethyl N-[2-[[4-methyl-5-(methylamino)-5-oxopentyl]amino]-2-oxoethyl]carbamate has a molecular weight of 423.51 g/mol, XLogP of 2.80, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[2-[[4-methyl-5-(methylamino)-5-oxopentyl]amino]-2-oxoethyl]carbamate is sourced from PubChem (CID 118407693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).