[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-(9H-fluoren-9-yl)carbamic acid

C28H30N2O3 — CID 19874929

IUPAC[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-(9H-fluoren-9-yl)carbamic acid
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)CN(C(=O)O)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C28H30N2O3/c1-17(2)19-14-9-15-20(18(3)4)26(19)29-25(31)16-30(28(32)33)27-23-12-7-5-10-21(23)22-11-6-8-13-24(22)27/h5-15,17-18,27H,16H2,1-4H3,(H,29,31)(H,32,33)
InChIKeyVOOXHFCNMQYNSM-UHFFFAOYSA-N
MW442.56 g/mol
LogP6.62
Rot. Bonds6

About [2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-(9H-fluoren-9-yl)carbamic acid

[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-(9H-fluoren-9-yl)carbamic acid (PubChem CID 19874929) has the molecular formula C28H30N2O3 and a molecular weight of 442.56 g/mol. Its IUPAC name is [2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-(9H-fluoren-9-yl)carbamic acid.

Molecular Properties

Compound Name[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-(9H-fluoren-9-yl)carbamic acid
PubChem CID19874929
Molecular FormulaC28H30N2O3
Molecular Weight442.56 g/mol
Exact Mass442.23
IUPAC Name[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-(9H-fluoren-9-yl)carbamic acid
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)CN(C(=O)O)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C28H30N2O3/c1-17(2)19-14-9-15-20(18(3)4)26(19)29-25(31)16-30(28(32)33)27-23-12-7-5-10-21(23)22-11-6-8-13-24(22)27/h5-15,17-18,27H,16H2,1-4H3,(H,29,31)(H,32,33)
InChIKeyVOOXHFCNMQYNSM-UHFFFAOYSA-N
XLogP6.62
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.56
LogP ≤ 56.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[acetyl(cyclohexyl)amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 113159574
2-[benzyl(ethyl)amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 8541792
bis(2-[carboxymethyl-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]amino]acetic acid);chromium(3+)
CID 159006610
N-[2,6-di(propan-2-yl)phenyl]-2-[3-hydroxybutyl(methyl)amino]acetamide
CID 111488372
N-[2,6-di(propan-2-yl)phenyl]-2-(9H-xanthen-9-ylsulfanyl)acetamide
CID 19419311
2-[acetyl(propan-2-yl)amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 113158268
2-chloro-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 2363774
N'-benzyl-N-[2,6-di(propan-2-yl)phenyl]-N'-propan-2-ylpropanediamide
CID 11223159
2-[bis(2-methoxyethyl)amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 33483708
3-[methyl-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]amino]propanoic acid;hydrochloride
CID 119911846
2-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]sulfanyl-N-phenylacetamide
CID 7574872
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-phenylphosphinic acid
CID 19764426

Frequently Asked Questions

What is the IUPAC name of [2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-(9H-fluoren-9-yl)carbamic acid?
The IUPAC name of [2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-(9H-fluoren-9-yl)carbamic acid (CID 19874929) is [2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-(9H-fluoren-9-yl)carbamic acid.
What is the SMILES notation for [2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-(9H-fluoren-9-yl)carbamic acid?
The canonical SMILES for [2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-(9H-fluoren-9-yl)carbamic acid is CC(C)c1cccc(C(C)C)c1NC(=O)CN(C(=O)O)C1c2ccccc2-c2ccccc21.
What is the InChIKey of [2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-(9H-fluoren-9-yl)carbamic acid?
The InChIKey is VOOXHFCNMQYNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O3/c1-17(2)19-14-9-15-20(18(3)4)26(19)29-25(31)16-30(28(32)33)27-23-12-7-5-10-21(23)22-11-6-8-13-24(22)27/h5-15,17-18,27H,16H2,1-4H3,(H,29,31)(H,32,33).
What are the key properties of [2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-(9H-fluoren-9-yl)carbamic acid?
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-(9H-fluoren-9-yl)carbamic acid has a molecular weight of 442.56 g/mol, XLogP of 6.62, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-(9H-fluoren-9-yl)carbamic acid is sourced from PubChem (CID 19874929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).