3-(9H-fluoren-9-yl)-N-propylpropanamide;2-methylbut-1-ene

C24H31NO — CID 143317570

IUPAC3-(9H-fluoren-9-yl)-N-propylpropanamide;2-methylbut-1-ene
SMILESC=C(C)CC.CCCNC(=O)CCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C19H21NO.C5H10/c1-2-13-20-19(21)12-11-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18;1-4-5(2)3/h3-10,18H,2,11-13H2,1H3,(H,20,21);2,4H2,1,3H3
InChIKeyHWQSQQVHMSPKHE-UHFFFAOYSA-N
MW349.52 g/mol
LogP6.08
Rot. Bonds6

About 3-(9H-fluoren-9-yl)-N-propylpropanamide;2-methylbut-1-ene

3-(9H-fluoren-9-yl)-N-propylpropanamide;2-methylbut-1-ene (PubChem CID 143317570) has the molecular formula C24H31NO and a molecular weight of 349.52 g/mol. Its IUPAC name is 3-(9H-fluoren-9-yl)-N-propylpropanamide;2-methylbut-1-ene.

Molecular Properties

Compound Name3-(9H-fluoren-9-yl)-N-propylpropanamide;2-methylbut-1-ene
PubChem CID143317570
Molecular FormulaC24H31NO
Molecular Weight349.52 g/mol
Exact Mass349.24
IUPAC Name3-(9H-fluoren-9-yl)-N-propylpropanamide;2-methylbut-1-ene
SMILESC=C(C)CC.CCCNC(=O)CCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C19H21NO.C5H10/c1-2-13-20-19(21)12-11-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18;1-4-5(2)3/h3-10,18H,2,11-13H2,1H3,(H,20,21);2,4H2,1,3H3
InChIKeyHWQSQQVHMSPKHE-UHFFFAOYSA-N
XLogP6.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.52
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;4-(9H-fluoren-9-yl)butan-2-one
CID 143985685
(2S)-2-[3-(9H-fluoren-9-yl)propanoylamino]-3,3-dimethylbutanoic acid
CID 15045076
3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]propanoic acid;4-oxohexanoic acid
CID 158307652
3-benzylsulfanyl-N-propylpropanamide
CID 8797529
3-[acetyl(2-phenylethyl)amino]-N-propylpropanamide
CID 113120727
(2S)-2-[3-(9H-fluoren-9-yl)propanoylamino]-3-phenylpropanoic acid
CID 15045083
2-(9H-fluoren-9-yl)ethyl acetate
CID 134437630
3-[2-(9H-fluoren-9-yl)ethyl-methylamino]propanoic acid
CID 69412355
N-propyl-3-[[(5R)-1,2,4,5-tetrahydro-3-benzothiepin-5-yl]amino]propanamide
CID 97230448
9-nonyl-9H-fluorene
CID 22568532
3-(butanoylamino)propanoic acid;2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]acetic acid
CID 161068795
9H-fluoren-9-ylmethyl N-(2-propoxyethyl)carbamate
CID 23569178

Frequently Asked Questions

What is the IUPAC name of 3-(9H-fluoren-9-yl)-N-propylpropanamide;2-methylbut-1-ene?
The IUPAC name of 3-(9H-fluoren-9-yl)-N-propylpropanamide;2-methylbut-1-ene (CID 143317570) is 3-(9H-fluoren-9-yl)-N-propylpropanamide;2-methylbut-1-ene.
What is the SMILES notation for 3-(9H-fluoren-9-yl)-N-propylpropanamide;2-methylbut-1-ene?
The canonical SMILES for 3-(9H-fluoren-9-yl)-N-propylpropanamide;2-methylbut-1-ene is C=C(C)CC.CCCNC(=O)CCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 3-(9H-fluoren-9-yl)-N-propylpropanamide;2-methylbut-1-ene?
The InChIKey is HWQSQQVHMSPKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO.C5H10/c1-2-13-20-19(21)12-11-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18;1-4-5(2)3/h3-10,18H,2,11-13H2,1H3,(H,20,21);2,4H2,1,3H3.
What are the key properties of 3-(9H-fluoren-9-yl)-N-propylpropanamide;2-methylbut-1-ene?
3-(9H-fluoren-9-yl)-N-propylpropanamide;2-methylbut-1-ene has a molecular weight of 349.52 g/mol, XLogP of 6.08, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9H-fluoren-9-yl)-N-propylpropanamide;2-methylbut-1-ene is sourced from PubChem (CID 143317570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).