N,N-dimethylchrysene-1-carboxamide

C21H17NO — CID 140682617

IUPACN,N-dimethylchrysene-1-carboxamide
SMILESCN(C)C(=O)c1cccc2c1ccc1c3ccccc3ccc21
InChIInChI=1S/C21H17NO/c1-22(2)21(23)20-9-5-8-16-18-11-10-14-6-3-4-7-15(14)17(18)12-13-19(16)20/h3-13H,1-2H3
InChIKeyIAZIFVJMRVYROD-UHFFFAOYSA-N
MW299.37 g/mol
LogP4.85
Rot. Bonds1

About N,N-dimethylchrysene-1-carboxamide

N,N-dimethylchrysene-1-carboxamide (PubChem CID 140682617) has the molecular formula C21H17NO and a molecular weight of 299.37 g/mol. Its IUPAC name is N,N-dimethylchrysene-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethylchrysene-1-carboxamide
PubChem CID140682617
Molecular FormulaC21H17NO
Molecular Weight299.37 g/mol
Exact Mass299.13
IUPAC NameN,N-dimethylchrysene-1-carboxamide
SMILESCN(C)C(=O)c1cccc2c1ccc1c3ccccc3ccc21
InChIInChI=1S/C21H17NO/c1-22(2)21(23)20-9-5-8-16-18-11-10-14-6-3-4-7-15(14)17(18)12-13-19(16)20/h3-13H,1-2H3
InChIKeyIAZIFVJMRVYROD-UHFFFAOYSA-N
XLogP4.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N,N-dimethylchrysene-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-oxo-2-phenanthren-1-ylacetic acid
CID 87124350
ethyl chrysene-1-carboxylate
CID 86251232
acetic acid;chrysene
CID 175201446
N-[2-(dimethylamino)ethyl]-N-methylnaphthalene-1-carboxamide
CID 110483893
2-hydroxy-N,N-dimethylnaphthalene-1-carboxamide
CID 23279236
N-(2-hydroxycyclobutyl)-N-methylnaphthalene-1-carboxamide
CID 126856656
N,N-dimethylbenzo[e][1]benzofuran-2-carboxamide
CID 2990859
2-amino-N,N-dimethylquinoline-5-carboxamide
CID 118658010
2-chrysen-6-yl-2-oxoacetic acid
CID 122213993
N-hydroxy-N-[4-[hydroxy(naphthalene-1-carbonyl)amino]phenyl]naphthalene-1-carboxamide
CID 56977411
N-(1-aminopropan-2-yl)-N-methylnaphthalene-1-carboxamide
CID 112701394
2-methoxy-N,N-dimethylnaphthalene-1-carboxamide
CID 23279235

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylchrysene-1-carboxamide?
The IUPAC name of N,N-dimethylchrysene-1-carboxamide (CID 140682617) is N,N-dimethylchrysene-1-carboxamide.
What is the SMILES notation for N,N-dimethylchrysene-1-carboxamide?
The canonical SMILES for N,N-dimethylchrysene-1-carboxamide is CN(C)C(=O)c1cccc2c1ccc1c3ccccc3ccc21.
What is the InChIKey of N,N-dimethylchrysene-1-carboxamide?
The InChIKey is IAZIFVJMRVYROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO/c1-22(2)21(23)20-9-5-8-16-18-11-10-14-6-3-4-7-15(14)17(18)12-13-19(16)20/h3-13H,1-2H3.
What are the key properties of N,N-dimethylchrysene-1-carboxamide?
N,N-dimethylchrysene-1-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 4.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylchrysene-1-carboxamide is sourced from PubChem (CID 140682617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).