9H-fluoren-9-ylmethyl N-[3-(4,5-diamino-2-methylphenyl)prop-2-enyl]carbamate

C25H25N3O2 — CID 169469501

IUPAC9H-fluoren-9-ylmethyl N-[3-(4,5-diamino-2-methylphenyl)prop-2-enyl]carbamate
SMILESCc1cc(N)c(N)cc1C=CCNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C25H25N3O2/c1-16-13-23(26)24(27)14-17(16)7-6-12-28-25(29)30-15-22-20-10-4-2-8-18(20)19-9-3-5-11-21(19)22/h2-11,13-14,22H,12,15,26-27H2,1H3,(H,28,29)
InChIKeyOKCSYTFOAGRNAX-UHFFFAOYSA-N
MW399.49 g/mol
LogP4.71
Rot. Bonds5

About 9H-fluoren-9-ylmethyl N-[3-(4,5-diamino-2-methylphenyl)prop-2-enyl]carbamate

9H-fluoren-9-ylmethyl N-[3-(4,5-diamino-2-methylphenyl)prop-2-enyl]carbamate (PubChem CID 169469501) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[3-(4,5-diamino-2-methylphenyl)prop-2-enyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[3-(4,5-diamino-2-methylphenyl)prop-2-enyl]carbamate
PubChem CID169469501
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC Name9H-fluoren-9-ylmethyl N-[3-(4,5-diamino-2-methylphenyl)prop-2-enyl]carbamate
SMILESCc1cc(N)c(N)cc1C=CCNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C25H25N3O2/c1-16-13-23(26)24(27)14-17(16)7-6-12-28-25(29)30-15-22-20-10-4-2-8-18(20)19-9-3-5-11-21(19)22/h2-11,13-14,22H,12,15,26-27H2,1H3,(H,28,29)
InChIKeyOKCSYTFOAGRNAX-UHFFFAOYSA-N
XLogP4.71
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

9H-fluoren-9-ylmethyl N-[3-(2,4,5-trimethylphenyl)prop-2-enyl]carbamate
CID 169469367
9H-fluoren-9-ylmethyl N-[3-(4-hydroxy-2-methylphenyl)prop-2-enyl]carbamate
CID 169469151
9H-fluoren-9-ylmethyl N-[3-(2,5-dimethylphenyl)prop-2-enyl]carbamate
CID 169469085
9H-fluoren-9-ylmethyl N-[3-(2-aminophenyl)prop-2-enyl]carbamate
CID 169469017
9H-fluoren-9-ylmethyl N-[3-(3-amino-4-methylphenyl)prop-2-enyl]carbamate
CID 169469269
9H-fluoren-9-ylmethyl N-[3-(3-amino-5-fluoro-2-methylphenyl)prop-2-enyl]carbamate
CID 169469567
9H-fluoren-9-ylmethyl N-[3-(4-amino-2,5-difluorophenyl)prop-2-enyl]carbamate
CID 169469609
9H-fluoren-9-ylmethyl N-[3-(2-chloro-5-fluoro-4-methylphenyl)prop-2-enyl]carbamate
CID 169469374
methyl 4-amino-3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]benzoate
CID 169470205
9H-fluoren-9-ylmethyl N-[3-(2,3-diamino-5-fluorophenyl)prop-2-enyl]carbamate
CID 169469496
9H-fluoren-9-ylmethyl N-[3-(3-methyl-4-pyridinyl)prop-2-enyl]carbamate
CID 169469026
9H-fluoren-9-ylmethyl N-[3-(4-amino-3-pyridinyl)prop-2-enyl]carbamate
CID 169468973

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(4,5-diamino-2-methylphenyl)prop-2-enyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(4,5-diamino-2-methylphenyl)prop-2-enyl]carbamate (CID 169469501) is 9H-fluoren-9-ylmethyl N-[3-(4,5-diamino-2-methylphenyl)prop-2-enyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[3-(4,5-diamino-2-methylphenyl)prop-2-enyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[3-(4,5-diamino-2-methylphenyl)prop-2-enyl]carbamate is Cc1cc(N)c(N)cc1C=CCNC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[3-(4,5-diamino-2-methylphenyl)prop-2-enyl]carbamate?
The InChIKey is OKCSYTFOAGRNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2/c1-16-13-23(26)24(27)14-17(16)7-6-12-28-25(29)30-15-22-20-10-4-2-8-18(20)19-9-3-5-11-21(19)22/h2-11,13-14,22H,12,15,26-27H2,1H3,(H,28,29).
What are the key properties of 9H-fluoren-9-ylmethyl N-[3-(4,5-diamino-2-methylphenyl)prop-2-enyl]carbamate?
9H-fluoren-9-ylmethyl N-[3-(4,5-diamino-2-methylphenyl)prop-2-enyl]carbamate has a molecular weight of 399.49 g/mol, XLogP of 4.71, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[3-(4,5-diamino-2-methylphenyl)prop-2-enyl]carbamate is sourced from PubChem (CID 169469501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).