9H-fluoren-9-ylmethyl N-(2-hydroxy-3-naphthalen-1-yloxypropyl)-N-propan-2-ylcarbamate

C31H31NO4 — CID 18680042

IUPAC9H-fluoren-9-ylmethyl N-(2-hydroxy-3-naphthalen-1-yloxypropyl)-N-propan-2-ylcarbamate
SMILESCC(C)N(CC(O)COc1cccc2ccccc12)C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C31H31NO4/c1-21(2)32(18-23(33)19-35-30-17-9-11-22-10-3-4-12-24(22)30)31(34)36-20-29-27-15-7-5-13-25(27)26-14-6-8-16-28(26)29/h3-17,21,23,29,33H,18-20H2,1-2H3
InChIKeyMGFXJQWVCMXVNX-UHFFFAOYSA-N
MW481.59 g/mol
LogP6.24
Rot. Bonds8

About 9H-fluoren-9-ylmethyl N-(2-hydroxy-3-naphthalen-1-yloxypropyl)-N-propan-2-ylcarbamate

9H-fluoren-9-ylmethyl N-(2-hydroxy-3-naphthalen-1-yloxypropyl)-N-propan-2-ylcarbamate (PubChem CID 18680042) has the molecular formula C31H31NO4 and a molecular weight of 481.59 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-(2-hydroxy-3-naphthalen-1-yloxypropyl)-N-propan-2-ylcarbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-(2-hydroxy-3-naphthalen-1-yloxypropyl)-N-propan-2-ylcarbamate
PubChem CID18680042
Molecular FormulaC31H31NO4
Molecular Weight481.59 g/mol
Exact Mass481.23
IUPAC Name9H-fluoren-9-ylmethyl N-(2-hydroxy-3-naphthalen-1-yloxypropyl)-N-propan-2-ylcarbamate
SMILESCC(C)N(CC(O)COc1cccc2ccccc12)C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C31H31NO4/c1-21(2)32(18-23(33)19-35-30-17-9-11-22-10-3-4-12-24(22)30)31(34)36-20-29-27-15-7-5-13-25(27)26-14-6-8-16-28(26)29/h3-17,21,23,29,33H,18-20H2,1-2H3
InChIKeyMGFXJQWVCMXVNX-UHFFFAOYSA-N
XLogP6.24
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.59
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 9H-fluoren-9-ylmethyl N-(2-hydroxy-3-naphthalen-1-yloxypropyl)-N-propan-2-ylcarbamate 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

3-[[(2-hydroxy-3-naphthalen-1-yloxypropyl)-propan-2-ylcarbamoyl]amino]propanoic acid
CID 122018992
4-(dihydroxyamino)oxy-N-(2-hydroxy-3-naphthalen-1-yloxypropyl)-N-propan-2-ylbutanamide
CID 89013616
1-[(2R)-2-hydroxy-3-naphthalen-1-yloxypropyl]-3-(2-phenylethyl)-1-propan-2-ylurea
CID 52521276
N-[(2S)-2-hydroxy-3-naphthalen-1-yloxypropyl]-3,5-dinitro-N-propan-2-ylbenzamide
CID 165341790
2-[9H-fluoren-9-ylmethoxycarbonyl(1-hydroxyethyl)amino]acetic acid
CID 22364292
2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)-propan-2-ylamino]acetonitrile
CID 110929469
1-[2,2-diethoxyethyl(propan-2-yl)amino]-3-naphthalen-1-yloxypropan-2-ol
CID 21416658
(2S)-1-[2-methylsulfanylethyl(propan-2-yl)amino]-3-naphthalen-1-yloxypropan-2-ol
CID 54556253
1-[1,1,1,2,3,3,3-heptadeuteriopropan-2-yl-(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]-3-naphthalen-1-yloxypropan-2-ol
CID 162641225
(2S)-2-[ethyl(9H-fluoren-9-ylmethoxycarbonyl)amino]propanoic acid
CID 18650330
(2S)-2-[9H-fluoren-9-ylmethoxycarbonyl(3-methylbutyl)amino]-3-sulfanylpropanoic acid
CID 155906592
2-[benzyl(9H-fluoren-9-ylmethoxycarbonyl)amino]propanoic acid
CID 78063599

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-(2-hydroxy-3-naphthalen-1-yloxypropyl)-N-propan-2-ylcarbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-(2-hydroxy-3-naphthalen-1-yloxypropyl)-N-propan-2-ylcarbamate (CID 18680042) is 9H-fluoren-9-ylmethyl N-(2-hydroxy-3-naphthalen-1-yloxypropyl)-N-propan-2-ylcarbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-(2-hydroxy-3-naphthalen-1-yloxypropyl)-N-propan-2-ylcarbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-(2-hydroxy-3-naphthalen-1-yloxypropyl)-N-propan-2-ylcarbamate is CC(C)N(CC(O)COc1cccc2ccccc12)C(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-(2-hydroxy-3-naphthalen-1-yloxypropyl)-N-propan-2-ylcarbamate?
The InChIKey is MGFXJQWVCMXVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31NO4/c1-21(2)32(18-23(33)19-35-30-17-9-11-22-10-3-4-12-24(22)30)31(34)36-20-29-27-15-7-5-13-25(27)26-14-6-8-16-28(26)29/h3-17,21,23,29,33H,18-20H2,1-2H3.
What are the key properties of 9H-fluoren-9-ylmethyl N-(2-hydroxy-3-naphthalen-1-yloxypropyl)-N-propan-2-ylcarbamate?
9H-fluoren-9-ylmethyl N-(2-hydroxy-3-naphthalen-1-yloxypropyl)-N-propan-2-ylcarbamate has a molecular weight of 481.59 g/mol, XLogP of 6.24, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-(2-hydroxy-3-naphthalen-1-yloxypropyl)-N-propan-2-ylcarbamate is sourced from PubChem (CID 18680042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).