N-[3-(ethylaminomethyl)phenyl]-3,4-dihydro-2H-chromene-4-carboxamide

C19H22N2O2 — CID 119438483

IUPACN-[3-(ethylaminomethyl)phenyl]-3,4-dihydro-2H-chromene-4-carboxamide
SMILESCCNCc1cccc(NC(=O)C2CCOc3ccccc32)c1
InChIInChI=1S/C19H22N2O2/c1-2-20-13-14-6-5-7-15(12-14)21-19(22)17-10-11-23-18-9-4-3-8-16(17)18/h3-9,12,17,20H,2,10-11,13H2,1H3,(H,21,22)
InChIKeyLMUNVMFLICDCAS-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.30
Rot. Bonds5

About N-[3-(ethylaminomethyl)phenyl]-3,4-dihydro-2H-chromene-4-carboxamide

N-[3-(ethylaminomethyl)phenyl]-3,4-dihydro-2H-chromene-4-carboxamide (PubChem CID 119438483) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-[3-(ethylaminomethyl)phenyl]-3,4-dihydro-2H-chromene-4-carboxamide.

Molecular Properties

Compound NameN-[3-(ethylaminomethyl)phenyl]-3,4-dihydro-2H-chromene-4-carboxamide
PubChem CID119438483
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC NameN-[3-(ethylaminomethyl)phenyl]-3,4-dihydro-2H-chromene-4-carboxamide
SMILESCCNCc1cccc(NC(=O)C2CCOc3ccccc32)c1
InChIInChI=1S/C19H22N2O2/c1-2-20-13-14-6-5-7-15(12-14)21-19(22)17-10-11-23-18-9-4-3-8-16(17)18/h3-9,12,17,20H,2,10-11,13H2,1H3,(H,21,22)
InChIKeyLMUNVMFLICDCAS-UHFFFAOYSA-N
XLogP3.30
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(aminomethyl)phenyl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 63710267
3-[[3-(3,4-dihydro-2H-chromene-4-carbonylamino)phenyl]methylsulfanyl]propanoic acid
CID 119241213
N-[3-(ethylaminomethyl)phenyl]oxane-4-carboxamide
CID 43601115
N-(4-formylphenyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 106912130
N-(3-amino-4-bromophenyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 79754301
N-[3-[[2-[(4S)-3,4-dihydro-2H-chromen-4-yl]acetyl]amino]phenyl]propanamide
CID 95771072
N-[3-(ethylaminomethyl)phenyl]acetamide
CID 43601248
N-(2-phenylethyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 110648358
N-[3-(ethylaminomethyl)phenyl]-1-methylpiperidine-4-carboxamide;dihydrochloride
CID 119438632
N-[3-(propylaminomethyl)phenyl]oxane-4-carboxamide
CID 106910686
N-[3-(ethylaminomethyl)phenyl]-5-oxopyrrolidine-2-carboxamide;hydrochloride
CID 119438155
N-[(2R)-2-(ethylamino)propyl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 120652271

Frequently Asked Questions

What is the IUPAC name of N-[3-(ethylaminomethyl)phenyl]-3,4-dihydro-2H-chromene-4-carboxamide?
The IUPAC name of N-[3-(ethylaminomethyl)phenyl]-3,4-dihydro-2H-chromene-4-carboxamide (CID 119438483) is N-[3-(ethylaminomethyl)phenyl]-3,4-dihydro-2H-chromene-4-carboxamide.
What is the SMILES notation for N-[3-(ethylaminomethyl)phenyl]-3,4-dihydro-2H-chromene-4-carboxamide?
The canonical SMILES for N-[3-(ethylaminomethyl)phenyl]-3,4-dihydro-2H-chromene-4-carboxamide is CCNCc1cccc(NC(=O)C2CCOc3ccccc32)c1.
What is the InChIKey of N-[3-(ethylaminomethyl)phenyl]-3,4-dihydro-2H-chromene-4-carboxamide?
The InChIKey is LMUNVMFLICDCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-2-20-13-14-6-5-7-15(12-14)21-19(22)17-10-11-23-18-9-4-3-8-16(17)18/h3-9,12,17,20H,2,10-11,13H2,1H3,(H,21,22).
What are the key properties of N-[3-(ethylaminomethyl)phenyl]-3,4-dihydro-2H-chromene-4-carboxamide?
N-[3-(ethylaminomethyl)phenyl]-3,4-dihydro-2H-chromene-4-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(ethylaminomethyl)phenyl]-3,4-dihydro-2H-chromene-4-carboxamide is sourced from PubChem (CID 119438483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).