N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide

C18H26N2O3 — CID 126767629

IUPACN-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCC1(C)CN(CCNC(=O)C2COc3ccccc3C2)CCO1
InChIInChI=1S/C18H26N2O3/c1-18(2)13-20(9-10-23-18)8-7-19-17(21)15-11-14-5-3-4-6-16(14)22-12-15/h3-6,15H,7-13H2,1-2H3,(H,19,21)
InChIKeyFNZLQGKTQSOSHU-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.46
Rot. Bonds4

About N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide

N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 126767629) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID126767629
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC NameN-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCC1(C)CN(CCNC(=O)C2COc3ccccc3C2)CCO1
InChIInChI=1S/C18H26N2O3/c1-18(2)13-20(9-10-23-18)8-7-19-17(21)15-11-14-5-3-4-6-16(14)22-12-15/h3-6,15H,7-13H2,1-2H3,(H,19,21)
InChIKeyFNZLQGKTQSOSHU-UHFFFAOYSA-N
XLogP1.46
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methylpiperazin-1-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578144
(3S)-N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 94853734
N-ethyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 42891679
N-[2-(4-methylpyrazol-1-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 72909703
N-(4-hydroxybutyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 106843420
N-(3-cyanopropyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 63589285
(3S)-N-[2-[(2S)-2,7-dimethyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 42317934
4-(3,4-dihydro-2H-chromene-3-carbonylamino)butanoic acid
CID 43241764
(3R)-N-(3-methylsulfonylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 95644954
N-(3-phenylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578103
N-(3-propan-2-yloxypropyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578122
6-(3,4-dihydro-2H-chromene-3-carbonylamino)hexanoic acid
CID 43241983

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 126767629) is N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide is CC1(C)CN(CCNC(=O)C2COc3ccccc3C2)CCO1.
What is the InChIKey of N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is FNZLQGKTQSOSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-18(2)13-20(9-10-23-18)8-7-19-17(21)15-11-14-5-3-4-6-16(14)22-12-15/h3-6,15H,7-13H2,1-2H3,(H,19,21).
What are the key properties of N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide?
N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 126767629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).