N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]morpholine-4-carboxamide

C15H20N2O3 — CID 94513083

IUPACN-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]morpholine-4-carboxamide
SMILESO=C(NC[C@H]1COc2ccccc2C1)N1CCOCC1
InChIInChI=1S/C15H20N2O3/c18-15(17-5-7-19-8-6-17)16-10-12-9-13-3-1-2-4-14(13)20-11-12/h1-4,12H,5-11H2,(H,16,18)/t12-/m0/s1
InChIKeyMJWNOEJSTPOPQU-LBPRGKRZSA-N
MW276.34 g/mol
LogP1.28
Rot. Bonds2

About N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]morpholine-4-carboxamide

N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]morpholine-4-carboxamide (PubChem CID 94513083) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]morpholine-4-carboxamide
PubChem CID94513083
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]morpholine-4-carboxamide
SMILESO=C(NC[C@H]1COc2ccccc2C1)N1CCOCC1
InChIInChI=1S/C15H20N2O3/c18-15(17-5-7-19-8-6-17)16-10-12-9-13-3-1-2-4-14(13)20-11-12/h1-4,12H,5-11H2,(H,16,18)/t12-/m0/s1
InChIKeyMJWNOEJSTPOPQU-LBPRGKRZSA-N
XLogP1.28
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dihydro-2H-chromen-3-ylmethyl)-4-morpholin-4-ylbenzamide
CID 72860096
N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-5-(morpholin-4-ylmethyl)furan-3-carboxamide
CID 97150277
1-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-ethylurea
CID 47117479
[(3R)-3,4-dihydro-2H-chromen-3-yl]-morpholin-4-ylmethanone
CID 26794764
N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-4-methoxy-3-morpholin-4-ylbenzamide
CID 97277367
(2E,4E)-N-(3,4-dihydro-2H-chromen-3-ylmethyl)hexa-2,4-dienamide
CID 47143635
N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
CID 97444843
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-methylbenzamide
CID 51211932
1-benzhydryl-3-(3,4-dihydro-2H-chromen-3-ylmethyl)urea
CID 55769875
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]pyridine-2-carboxamide
CID 99779688
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(trifluoromethyl)benzamide
CID 40918040
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-ethylsulfanylpropanamide
CID 72920738

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]morpholine-4-carboxamide?
The IUPAC name of N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]morpholine-4-carboxamide (CID 94513083) is N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]morpholine-4-carboxamide?
The canonical SMILES for N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]morpholine-4-carboxamide is O=C(NC[C@H]1COc2ccccc2C1)N1CCOCC1.
What is the InChIKey of N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]morpholine-4-carboxamide?
The InChIKey is MJWNOEJSTPOPQU-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H20N2O3/c18-15(17-5-7-19-8-6-17)16-10-12-9-13-3-1-2-4-14(13)20-11-12/h1-4,12H,5-11H2,(H,16,18)/t12-/m0/s1.
What are the key properties of N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]morpholine-4-carboxamide?
N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]morpholine-4-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]morpholine-4-carboxamide is sourced from PubChem (CID 94513083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).