N-[(4-aminophenyl)methyl]-3,4-dihydro-2H-chromene-4-carboxamide

C17H18N2O2 — CID 63710270

IUPACN-[(4-aminophenyl)methyl]-3,4-dihydro-2H-chromene-4-carboxamide
SMILESNc1ccc(CNC(=O)C2CCOc3ccccc32)cc1
InChIInChI=1S/C17H18N2O2/c18-13-7-5-12(6-8-13)11-19-17(20)15-9-10-21-16-4-2-1-3-14(15)16/h1-8,15H,9-11,18H2,(H,19,20)
InChIKeySLGCRSIZFIQGDH-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.45
Rot. Bonds3

About N-[(4-aminophenyl)methyl]-3,4-dihydro-2H-chromene-4-carboxamide

N-[(4-aminophenyl)methyl]-3,4-dihydro-2H-chromene-4-carboxamide (PubChem CID 63710270) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-3,4-dihydro-2H-chromene-4-carboxamide.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-3,4-dihydro-2H-chromene-4-carboxamide
PubChem CID63710270
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC NameN-[(4-aminophenyl)methyl]-3,4-dihydro-2H-chromene-4-carboxamide
SMILESNc1ccc(CNC(=O)C2CCOc3ccccc32)cc1
InChIInChI=1S/C17H18N2O2/c18-13-7-5-12(6-8-13)11-19-17(20)15-9-10-21-16-4-2-1-3-14(15)16/h1-8,15H,9-11,18H2,(H,19,20)
InChIKeySLGCRSIZFIQGDH-UHFFFAOYSA-N
XLogP2.45
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminoethyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 63710623
N-[(2-chlorophenyl)methyl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 110648124
N-(2-phenylethyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 110648358
N-(2H-tetrazol-5-ylmethyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 63708848
(2S)-3-(3,4-dihydro-2H-chromene-4-carbonylamino)-2-hydroxypropanoic acid
CID 107833282
N-[(2S)-2-hydroxypropyl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 83030362
N-(2-cyanoethyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 63708655
N-[3-(methylamino)propyl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 63709735
N-(3,3-dimethyl-2-oxobutyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 64992086
N-(3-amino-2-methylpropyl)-3,4-dihydro-2H-chromene-4-carboxamide;hydrochloride
CID 119996124
(2R)-3-[[(4S)-3,4-dihydro-2H-chromene-4-carbonyl]amino]-2-methylpropanoic acid
CID 124556466
N-[2-(methylamino)propyl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 103512642

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-3,4-dihydro-2H-chromene-4-carboxamide?
The IUPAC name of N-[(4-aminophenyl)methyl]-3,4-dihydro-2H-chromene-4-carboxamide (CID 63710270) is N-[(4-aminophenyl)methyl]-3,4-dihydro-2H-chromene-4-carboxamide.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-3,4-dihydro-2H-chromene-4-carboxamide?
The canonical SMILES for N-[(4-aminophenyl)methyl]-3,4-dihydro-2H-chromene-4-carboxamide is Nc1ccc(CNC(=O)C2CCOc3ccccc32)cc1.
What is the InChIKey of N-[(4-aminophenyl)methyl]-3,4-dihydro-2H-chromene-4-carboxamide?
The InChIKey is SLGCRSIZFIQGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c18-13-7-5-12(6-8-13)11-19-17(20)15-9-10-21-16-4-2-1-3-14(15)16/h1-8,15H,9-11,18H2,(H,19,20).
What are the key properties of N-[(4-aminophenyl)methyl]-3,4-dihydro-2H-chromene-4-carboxamide?
N-[(4-aminophenyl)methyl]-3,4-dihydro-2H-chromene-4-carboxamide has a molecular weight of 282.34 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]-3,4-dihydro-2H-chromene-4-carboxamide is sourced from PubChem (CID 63710270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).