9H-fluoren-9-ylmethyl N-[1-(1-benzofuran-6-yl)propan-2-yl]-N-methylcarbamate

C27H25NO3 — CID 166892722

IUPAC9H-fluoren-9-ylmethyl N-[1-(1-benzofuran-6-yl)propan-2-yl]-N-methylcarbamate
SMILESCC(Cc1ccc2ccoc2c1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C27H25NO3/c1-18(15-19-11-12-20-13-14-30-26(20)16-19)28(2)27(29)31-17-25-23-9-5-3-7-21(23)22-8-4-6-10-24(22)25/h3-14,16,18,25H,15,17H2,1-2H3
InChIKeyQZAFKBGREKXJAA-UHFFFAOYSA-N
MW411.50 g/mol
LogP6.24
Rot. Bonds5

About 9H-fluoren-9-ylmethyl N-[1-(1-benzofuran-6-yl)propan-2-yl]-N-methylcarbamate

9H-fluoren-9-ylmethyl N-[1-(1-benzofuran-6-yl)propan-2-yl]-N-methylcarbamate (PubChem CID 166892722) has the molecular formula C27H25NO3 and a molecular weight of 411.50 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[1-(1-benzofuran-6-yl)propan-2-yl]-N-methylcarbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[1-(1-benzofuran-6-yl)propan-2-yl]-N-methylcarbamate
PubChem CID166892722
Molecular FormulaC27H25NO3
Molecular Weight411.50 g/mol
Exact Mass411.18
IUPAC Name9H-fluoren-9-ylmethyl N-[1-(1-benzofuran-6-yl)propan-2-yl]-N-methylcarbamate
SMILESCC(Cc1ccc2ccoc2c1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C27H25NO3/c1-18(15-19-11-12-20-13-14-30-26(20)16-19)28(2)27(29)31-17-25-23-9-5-3-7-21(23)22-8-4-6-10-24(22)25/h3-14,16,18,25H,15,17H2,1-2H3
InChIKeyQZAFKBGREKXJAA-UHFFFAOYSA-N
XLogP6.24
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.50
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-naphthalen-2-ylpropanoic acid
CID 54171762
[3-ethenyl-2-[(Z)-prop-1-enyl]-1H-inden-1-yl]methyl N-[2-(1-benzofuran-6-yl)ethyl]-N-methylcarbamate
CID 168924080
(2S)-2-[9H-fluoren-9-ylmethoxycarbonyl((113C)methyl)(15N)amino]-3-(113C)methyl(1,2,3,4-13C4)butanoic acid
CID 117065495
2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-(3-propan-2-ylphenyl)propanoic acid
CID 155695169
9H-fluoren-9-ylmethyl N-amino-N-methylcarbamate
CID 10563828
2-(3,4-dichlorophenyl)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetic acid
CID 103664247
(2S)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-(2-oxo-1H-pyridin-4-yl)propanoic acid
CID 172529478
9H-fluoren-9-ylmethyl N-[(2S)-1-chloro-1-oxopentan-2-yl]-N-methylcarbamate
CID 176832325
(2S)-2-[[(2S)-2-[[(2S)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-phenylpropanoyl]-methylamino]-3-phenylpropanoyl]-methylamino]-3-phenylpropanoic acid
CID 175971001
(4R)-4-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-5-phenylpentanoic acid
CID 177277596
2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-[3-fluoro-4-(trifluoromethyl)phenyl]propanoic acid
CID 155695299
4-(4-chlorophenyl)-3-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]butanoic acid
CID 146596692

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[1-(1-benzofuran-6-yl)propan-2-yl]-N-methylcarbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[1-(1-benzofuran-6-yl)propan-2-yl]-N-methylcarbamate (CID 166892722) is 9H-fluoren-9-ylmethyl N-[1-(1-benzofuran-6-yl)propan-2-yl]-N-methylcarbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[1-(1-benzofuran-6-yl)propan-2-yl]-N-methylcarbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[1-(1-benzofuran-6-yl)propan-2-yl]-N-methylcarbamate is CC(Cc1ccc2ccoc2c1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[1-(1-benzofuran-6-yl)propan-2-yl]-N-methylcarbamate?
The InChIKey is QZAFKBGREKXJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25NO3/c1-18(15-19-11-12-20-13-14-30-26(20)16-19)28(2)27(29)31-17-25-23-9-5-3-7-21(23)22-8-4-6-10-24(22)25/h3-14,16,18,25H,15,17H2,1-2H3.
What are the key properties of 9H-fluoren-9-ylmethyl N-[1-(1-benzofuran-6-yl)propan-2-yl]-N-methylcarbamate?
9H-fluoren-9-ylmethyl N-[1-(1-benzofuran-6-yl)propan-2-yl]-N-methylcarbamate has a molecular weight of 411.50 g/mol, XLogP of 6.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[1-(1-benzofuran-6-yl)propan-2-yl]-N-methylcarbamate is sourced from PubChem (CID 166892722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).