9H-fluoren-9-ylmethyl N-[3-(3-amino-4-methylphenyl)prop-2-enyl]carbamate

C25H24N2O2 — CID 169469269

IUPAC9H-fluoren-9-ylmethyl N-[3-(3-amino-4-methylphenyl)prop-2-enyl]carbamate
SMILESCc1ccc(C=CCNC(=O)OCC2c3ccccc3-c3ccccc32)cc1N
InChIInChI=1S/C25H24N2O2/c1-17-12-13-18(15-24(17)26)7-6-14-27-25(28)29-16-23-21-10-4-2-8-19(21)20-9-3-5-11-22(20)23/h2-13,15,23H,14,16,26H2,1H3,(H,27,28)
InChIKeyQSAXERCNFNDPRA-UHFFFAOYSA-N
MW384.48 g/mol
LogP5.13
Rot. Bonds5

About 9H-fluoren-9-ylmethyl N-[3-(3-amino-4-methylphenyl)prop-2-enyl]carbamate

9H-fluoren-9-ylmethyl N-[3-(3-amino-4-methylphenyl)prop-2-enyl]carbamate (PubChem CID 169469269) has the molecular formula C25H24N2O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[3-(3-amino-4-methylphenyl)prop-2-enyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[3-(3-amino-4-methylphenyl)prop-2-enyl]carbamate
PubChem CID169469269
Molecular FormulaC25H24N2O2
Molecular Weight384.48 g/mol
Exact Mass384.18
IUPAC Name9H-fluoren-9-ylmethyl N-[3-(3-amino-4-methylphenyl)prop-2-enyl]carbamate
SMILESCc1ccc(C=CCNC(=O)OCC2c3ccccc3-c3ccccc32)cc1N
InChIInChI=1S/C25H24N2O2/c1-17-12-13-18(15-24(17)26)7-6-14-27-25(28)29-16-23-21-10-4-2-8-19(21)20-9-3-5-11-22(20)23/h2-13,15,23H,14,16,26H2,1H3,(H,27,28)
InChIKeyQSAXERCNFNDPRA-UHFFFAOYSA-N
XLogP5.13
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.48
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]-2-methylbenzoic acid
CID 169469831
9H-fluoren-9-ylmethyl N-[3-(4,5-diamino-2-methylphenyl)prop-2-enyl]carbamate
CID 169469501
9H-fluoren-9-ylmethyl N-[3-(4-methoxy-3,5-dimethylphenyl)prop-2-enyl]carbamate
CID 169469871
9H-fluoren-9-ylmethyl N-[3-(3-acetyl-4-chlorophenyl)prop-2-enyl]carbamate
CID 169469851
9H-fluoren-9-ylmethyl N-[3-(2-methyl-4-pyridinyl)prop-2-enyl]carbamate
CID 169469022
9H-fluoren-9-ylmethyl N-[3-(4-acetyl-3-chlorophenyl)prop-2-enyl]carbamate
CID 169469856
9H-fluoren-9-ylmethyl N-[3-(3-fluoro-4-hydroxyphenyl)prop-2-enyl]carbamate
CID 169469128
9H-fluoren-9-ylmethyl N-[3-(2,5-dimethylphenyl)prop-2-enyl]carbamate
CID 169469085
9H-fluoren-9-ylmethyl N-[3-(2,4,5-trimethylphenyl)prop-2-enyl]carbamate
CID 169469367
9H-fluoren-9-ylmethyl N-[3-(4-amino-3,5-difluorophenyl)prop-2-enyl]carbamate
CID 169469613
9H-fluoren-9-ylmethyl N-[3-[4-amino-3-(trifluoromethoxy)phenyl]prop-2-enyl]carbamate
CID 169470459
9H-fluoren-9-ylmethyl N-[3-[3-(hydroxyiminomethyl)phenyl]prop-2-enyl]carbamate
CID 169469640

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(3-amino-4-methylphenyl)prop-2-enyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(3-amino-4-methylphenyl)prop-2-enyl]carbamate (CID 169469269) is 9H-fluoren-9-ylmethyl N-[3-(3-amino-4-methylphenyl)prop-2-enyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[3-(3-amino-4-methylphenyl)prop-2-enyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[3-(3-amino-4-methylphenyl)prop-2-enyl]carbamate is Cc1ccc(C=CCNC(=O)OCC2c3ccccc3-c3ccccc32)cc1N.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[3-(3-amino-4-methylphenyl)prop-2-enyl]carbamate?
The InChIKey is QSAXERCNFNDPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O2/c1-17-12-13-18(15-24(17)26)7-6-14-27-25(28)29-16-23-21-10-4-2-8-19(21)20-9-3-5-11-22(20)23/h2-13,15,23H,14,16,26H2,1H3,(H,27,28).
What are the key properties of 9H-fluoren-9-ylmethyl N-[3-(3-amino-4-methylphenyl)prop-2-enyl]carbamate?
9H-fluoren-9-ylmethyl N-[3-(3-amino-4-methylphenyl)prop-2-enyl]carbamate has a molecular weight of 384.48 g/mol, XLogP of 5.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[3-(3-amino-4-methylphenyl)prop-2-enyl]carbamate is sourced from PubChem (CID 169469269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).