9H-fluoren-9-ylmethyl N-phenyl-N-propanoylcarbamate

C24H21NO3 — CID 54097976

IUPAC9H-fluoren-9-ylmethyl N-phenyl-N-propanoylcarbamate
SMILESCCC(=O)N(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1
InChIInChI=1S/C24H21NO3/c1-2-23(26)25(17-10-4-3-5-11-17)24(27)28-16-22-20-14-8-6-12-18(20)19-13-7-9-15-21(19)22/h3-15,22H,2,16H2,1H3
InChIKeyMYMSFWOYIMIBCF-UHFFFAOYSA-N
MW371.44 g/mol
LogP5.38
Rot. Bonds4

About 9H-fluoren-9-ylmethyl N-phenyl-N-propanoylcarbamate

9H-fluoren-9-ylmethyl N-phenyl-N-propanoylcarbamate (PubChem CID 54097976) has the molecular formula C24H21NO3 and a molecular weight of 371.44 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-phenyl-N-propanoylcarbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-phenyl-N-propanoylcarbamate
PubChem CID54097976
Molecular FormulaC24H21NO3
Molecular Weight371.44 g/mol
Exact Mass371.15
IUPAC Name9H-fluoren-9-ylmethyl N-phenyl-N-propanoylcarbamate
SMILESCCC(=O)N(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1
InChIInChI=1S/C24H21NO3/c1-2-23(26)25(17-10-4-3-5-11-17)24(27)28-16-22-20-14-8-6-12-18(20)19-13-7-9-15-21(19)22/h3-15,22H,2,16H2,1H3
InChIKeyMYMSFWOYIMIBCF-UHFFFAOYSA-N
XLogP5.38
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.44
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9H-fluoren-9-ylmethyl N-amino-N-phenylcarbamate
CID 155637511
2-[ethoxy(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid
CID 176719721
9H-fluoren-9-ylmethyl N-phenyl-N-trimethylsilylcarbamate
CID 54486413
9H-fluoren-9-ylmethyl N-amino-N-methylcarbamate
CID 10563828
(2S)-2-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]propanoic acid
CID 18650330
9H-fluoren-9-ylmethyl N-hydroxy-N-propylcarbamate
CID 86810454
2-[amino(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid
CID 173067102
2-[(2-aminoacetyl)-(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid
CID 174985189
2-[9H-fluoren-9-ylmethoxycarbonyl(1-hydroxyethyl)amino]acetic acid
CID 22364292
2-[9H-fluoren-9-ylmethoxycarbonyl(pentyl)amino]acetic acid
CID 125449008
(2R)-2-[N-(9H-fluoren-9-ylmethoxycarbonyl)anilino]-2-phenylpropanoic acid
CID 67594296
(2S)-2-[N-(9H-fluoren-9-ylmethoxycarbonyl)anilino]hexanoic acid
CID 175700602

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-phenyl-N-propanoylcarbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-phenyl-N-propanoylcarbamate (CID 54097976) is 9H-fluoren-9-ylmethyl N-phenyl-N-propanoylcarbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-phenyl-N-propanoylcarbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-phenyl-N-propanoylcarbamate is CCC(=O)N(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-phenyl-N-propanoylcarbamate?
The InChIKey is MYMSFWOYIMIBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO3/c1-2-23(26)25(17-10-4-3-5-11-17)24(27)28-16-22-20-14-8-6-12-18(20)19-13-7-9-15-21(19)22/h3-15,22H,2,16H2,1H3.
What are the key properties of 9H-fluoren-9-ylmethyl N-phenyl-N-propanoylcarbamate?
9H-fluoren-9-ylmethyl N-phenyl-N-propanoylcarbamate has a molecular weight of 371.44 g/mol, XLogP of 5.38, 4 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-phenyl-N-propanoylcarbamate is sourced from PubChem (CID 54097976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).