N-(3-amino-4-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide

C17H18N2O2 — CID 62057628

IUPACN-(3-amino-4-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCc1ccc(NC(=O)C2COc3ccccc3C2)cc1N
InChIInChI=1S/C17H18N2O2/c1-11-6-7-14(9-15(11)18)19-17(20)13-8-12-4-2-3-5-16(12)21-10-13/h2-7,9,13H,8,10,18H2,1H3,(H,19,20)
InChIKeyUJTCNCXSNXQTTM-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.77
Rot. Bonds2

About N-(3-amino-4-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide

N-(3-amino-4-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 62057628) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is N-(3-amino-4-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-4-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID62057628
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC NameN-(3-amino-4-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCc1ccc(NC(=O)C2COc3ccccc3C2)cc1N
InChIInChI=1S/C17H18N2O2/c1-11-6-7-14(9-15(11)18)19-17(20)13-8-12-4-2-3-5-16(12)21-10-13/h2-7,9,13H,8,10,18H2,1H3,(H,19,20)
InChIKeyUJTCNCXSNXQTTM-UHFFFAOYSA-N
XLogP2.77
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.77
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

N-(3-amino-4-chlorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 62057632
(3S)-N-(3-acetamido-4-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 95153639
N-[3-(diethylsulfamoyl)-4-methylphenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 17496304
N-(4-bromophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578129
N-(2-methyl-1,3-dioxoisoindol-5-yl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 46628982
N-(3-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 16648344
(3S)-N-(3-iodophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 9245036
ethyl 3-(3,4-dihydro-2H-chromene-3-carbonylamino)benzoate
CID 134041128
N-(3-amino-5-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 107334050
(3S)-N-(3-methoxyphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 40840529
N-(4-chloro-2-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578098
methyl 4-[[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]amino]benzoate
CID 9243838

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of N-(3-amino-4-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide (CID 62057628) is N-(3-amino-4-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for N-(3-amino-4-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for N-(3-amino-4-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide is Cc1ccc(NC(=O)C2COc3ccccc3C2)cc1N.
What is the InChIKey of N-(3-amino-4-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is UJTCNCXSNXQTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-11-6-7-14(9-15(11)18)19-17(20)13-8-12-4-2-3-5-16(12)21-10-13/h2-7,9,13H,8,10,18H2,1H3,(H,19,20).
What are the key properties of N-(3-amino-4-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide?
N-(3-amino-4-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 282.34 g/mol, XLogP of 2.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 62057628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).