9H-fluoren-9-ylmethyl N-[3-oxo-5-(prop-1-en-2-ylamino)pentan-2-yl]carbamate

C23H26N2O3 — CID 157366571

IUPAC9H-fluoren-9-ylmethyl N-[3-oxo-5-(prop-1-en-2-ylamino)pentan-2-yl]carbamate
SMILESC=C(C)NCCC(=O)C(C)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C23H26N2O3/c1-15(2)24-13-12-22(26)16(3)25-23(27)28-14-21-19-10-6-4-8-17(19)18-9-5-7-11-20(18)21/h4-11,16,21,24H,1,12-14H2,2-3H3,(H,25,27)
InChIKeyBJGFEVFZFDFURC-UHFFFAOYSA-N
MW378.47 g/mol
LogP4.00
Rot. Bonds8

About 9H-fluoren-9-ylmethyl N-[3-oxo-5-(prop-1-en-2-ylamino)pentan-2-yl]carbamate

9H-fluoren-9-ylmethyl N-[3-oxo-5-(prop-1-en-2-ylamino)pentan-2-yl]carbamate (PubChem CID 157366571) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[3-oxo-5-(prop-1-en-2-ylamino)pentan-2-yl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[3-oxo-5-(prop-1-en-2-ylamino)pentan-2-yl]carbamate
PubChem CID157366571
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name9H-fluoren-9-ylmethyl N-[3-oxo-5-(prop-1-en-2-ylamino)pentan-2-yl]carbamate
SMILESC=C(C)NCCC(=O)C(C)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C23H26N2O3/c1-15(2)24-13-12-22(26)16(3)25-23(27)28-14-21-19-10-6-4-8-17(19)18-9-5-7-11-20(18)21/h4-11,16,21,24H,1,12-14H2,2-3H3,(H,25,27)
InChIKeyBJGFEVFZFDFURC-UHFFFAOYSA-N
XLogP4.00
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

9H-fluoren-9-ylmethyl N-[1-oxo-1-[[1-oxo-1-(3-oxobutan-2-ylamino)propan-2-yl]amino]propan-2-yl]carbamate
CID 58937812
9H-fluoren-9-ylmethyl N-(1-amino-1-oxopropan-2-yl)carbamate
CID 22905931
(2S)-2-(9H-fluoren-9-ylmethoxycarbonyl(15N)amino)propanoic acid;hydrate
CID 45157536
2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid;hydrochloride
CID 77247911
(2S)-2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]propanoic acid
CID 122173539
9H-fluoren-9-ylmethyl N-[1-(octadecylamino)-1-oxopropan-2-yl]carbamate
CID 102097431
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpent-4-enoate
CID 7019924
9H-fluoren-9-ylmethyl N-(1-methoxy-2-methylpropyl)carbamate
CID 102466963
[(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-oxobutyl] 2,6-dimethylbenzoate
CID 70911230
9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxypropan-2-yl]carbamate
CID 6924106
dimethyl (2R,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanedioate
CID 23651066
9H-fluoren-9-ylmethyl N-[1-[methoxy(methyl)amino]-1-oxopropan-2-yl]carbamate
CID 15549270

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[3-oxo-5-(prop-1-en-2-ylamino)pentan-2-yl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[3-oxo-5-(prop-1-en-2-ylamino)pentan-2-yl]carbamate (CID 157366571) is 9H-fluoren-9-ylmethyl N-[3-oxo-5-(prop-1-en-2-ylamino)pentan-2-yl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[3-oxo-5-(prop-1-en-2-ylamino)pentan-2-yl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[3-oxo-5-(prop-1-en-2-ylamino)pentan-2-yl]carbamate is C=C(C)NCCC(=O)C(C)NC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[3-oxo-5-(prop-1-en-2-ylamino)pentan-2-yl]carbamate?
The InChIKey is BJGFEVFZFDFURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-15(2)24-13-12-22(26)16(3)25-23(27)28-14-21-19-10-6-4-8-17(19)18-9-5-7-11-20(18)21/h4-11,16,21,24H,1,12-14H2,2-3H3,(H,25,27).
What are the key properties of 9H-fluoren-9-ylmethyl N-[3-oxo-5-(prop-1-en-2-ylamino)pentan-2-yl]carbamate?
9H-fluoren-9-ylmethyl N-[3-oxo-5-(prop-1-en-2-ylamino)pentan-2-yl]carbamate has a molecular weight of 378.47 g/mol, XLogP of 4.00, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[3-oxo-5-(prop-1-en-2-ylamino)pentan-2-yl]carbamate is sourced from PubChem (CID 157366571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).