9H-fluoren-9-ylmethyl N-[(1R)-2-[methyl(prop-2-enyl)amino]-2-oxo-1-phenylethyl]carbamate

C27H26N2O3 — CID 156678521

IUPAC9H-fluoren-9-ylmethyl N-[(1R)-2-[methyl(prop-2-enyl)amino]-2-oxo-1-phenylethyl]carbamate
SMILESC=CCN(C)C(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1
InChIInChI=1S/C27H26N2O3/c1-3-17-29(2)26(30)25(19-11-5-4-6-12-19)28-27(31)32-18-24-22-15-9-7-13-20(22)21-14-8-10-16-23(21)24/h3-16,24-25H,1,17-18H2,2H3,(H,28,31)/t25-/m1/s1
InChIKeyMSDMAJLMRGCBHE-RUZDIDTESA-N
MW426.52 g/mol
LogP4.91
Rot. Bonds7

About 9H-fluoren-9-ylmethyl N-[(1R)-2-[methyl(prop-2-enyl)amino]-2-oxo-1-phenylethyl]carbamate

9H-fluoren-9-ylmethyl N-[(1R)-2-[methyl(prop-2-enyl)amino]-2-oxo-1-phenylethyl]carbamate (PubChem CID 156678521) has the molecular formula C27H26N2O3 and a molecular weight of 426.52 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[(1R)-2-[methyl(prop-2-enyl)amino]-2-oxo-1-phenylethyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[(1R)-2-[methyl(prop-2-enyl)amino]-2-oxo-1-phenylethyl]carbamate
PubChem CID156678521
Molecular FormulaC27H26N2O3
Molecular Weight426.52 g/mol
Exact Mass426.19
IUPAC Name9H-fluoren-9-ylmethyl N-[(1R)-2-[methyl(prop-2-enyl)amino]-2-oxo-1-phenylethyl]carbamate
SMILESC=CCN(C)C(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1
InChIInChI=1S/C27H26N2O3/c1-3-17-29(2)26(30)25(19-11-5-4-6-12-19)28-27(31)32-18-24-22-15-9-7-13-20(22)21-14-8-10-16-23(21)24/h3-16,24-25H,1,17-18H2,2H3,(H,28,31)/t25-/m1/s1
InChIKeyMSDMAJLMRGCBHE-RUZDIDTESA-N
XLogP4.91
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 9H-fluoren-9-ylmethyl N-[(1R)-2-[methyl(prop-2-enyl)amino]-2-oxo-1-phenylethyl]carbamate with MolForge

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Related Compounds

2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-phenylacetyl]amino]-2-phenylacetic acid
CID 170836423
2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-phenylacetyl]amino]butanoic acid
CID 165479235
prop-2-enyl (3S)-4-(dimethylamino)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxobutanoate
CID 167139879
methyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3-diphenylpropanoate
CID 75488026
2-(9H-fluoren-9-ylmethoxycarbonylamino)pent-4-enoic acid
CID 4052587
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[methyl(prop-2-enoxycarbonyl)amino]butanoic acid
CID 156621225
(2S)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-phenylacetyl]amino]-3-methoxypropanoic acid
CID 165448330
CID 101120722
CID 101120722
methyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)pent-4-enoate
CID 10569941
2-(4-bromophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
CID 24729690
9H-fluoren-9-ylmethyl N-[2-[2,2-diethoxyethyl(3-methylbutyl)amino]-2-oxo-1-phenylethyl]carbamate
CID 138469585
9H-fluoren-9-ylmethyl N-[2-[2,2-diethoxyethyl(3,3-diphenylpropyl)amino]-2-oxo-1-phenylethyl]carbamate
CID 138469469

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[(1R)-2-[methyl(prop-2-enyl)amino]-2-oxo-1-phenylethyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[(1R)-2-[methyl(prop-2-enyl)amino]-2-oxo-1-phenylethyl]carbamate (CID 156678521) is 9H-fluoren-9-ylmethyl N-[(1R)-2-[methyl(prop-2-enyl)amino]-2-oxo-1-phenylethyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[(1R)-2-[methyl(prop-2-enyl)amino]-2-oxo-1-phenylethyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[(1R)-2-[methyl(prop-2-enyl)amino]-2-oxo-1-phenylethyl]carbamate is C=CCN(C)C(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[(1R)-2-[methyl(prop-2-enyl)amino]-2-oxo-1-phenylethyl]carbamate?
The InChIKey is MSDMAJLMRGCBHE-RUZDIDTESA-N. The full InChI is InChI=1S/C27H26N2O3/c1-3-17-29(2)26(30)25(19-11-5-4-6-12-19)28-27(31)32-18-24-22-15-9-7-13-20(22)21-14-8-10-16-23(21)24/h3-16,24-25H,1,17-18H2,2H3,(H,28,31)/t25-/m1/s1.
What are the key properties of 9H-fluoren-9-ylmethyl N-[(1R)-2-[methyl(prop-2-enyl)amino]-2-oxo-1-phenylethyl]carbamate?
9H-fluoren-9-ylmethyl N-[(1R)-2-[methyl(prop-2-enyl)amino]-2-oxo-1-phenylethyl]carbamate has a molecular weight of 426.52 g/mol, XLogP of 4.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[(1R)-2-[methyl(prop-2-enyl)amino]-2-oxo-1-phenylethyl]carbamate is sourced from PubChem (CID 156678521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).