N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-morpholin-4-ylpropanamide

C17H24N2O3 — CID 2902614

IUPACN-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-morpholin-4-ylpropanamide
SMILESO=C(CCN1CCOCC1)NCC1OCCc2ccccc21
InChIInChI=1S/C17H24N2O3/c20-17(5-7-19-8-11-21-12-9-19)18-13-16-15-4-2-1-3-14(15)6-10-22-16/h1-4,16H,5-13H2,(H,18,20)
InChIKeyKLZJKNZLDAMDAN-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.14
Rot. Bonds5

About N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-morpholin-4-ylpropanamide

N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-morpholin-4-ylpropanamide (PubChem CID 2902614) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-morpholin-4-ylpropanamide.

Molecular Properties

Compound NameN-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-morpholin-4-ylpropanamide
PubChem CID2902614
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC NameN-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-morpholin-4-ylpropanamide
SMILESO=C(CCN1CCOCC1)NCC1OCCc2ccccc21
InChIInChI=1S/C17H24N2O3/c20-17(5-7-19-8-11-21-12-9-19)18-13-16-15-4-2-1-3-14(15)6-10-22-16/h1-4,16H,5-13H2,(H,18,20)
InChIKeyKLZJKNZLDAMDAN-UHFFFAOYSA-N
XLogP1.14
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl]-2-oxo-2-pyrrolidin-1-ylacetamide
CID 7270613
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-pyrrolidin-1-ylethanamine
CID 558742
N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-2-pyridin-3-ylacetamide
CID 99957581
2-chloro-N-(3,4-dihydro-1H-isochromen-1-ylmethyl)benzamide
CID 2881036
(3S)-N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-3-(4-hydroxyphenyl)-3-phenylpropanamide
CID 1087491
2-bromo-N-(3,4-dihydro-1H-isochromen-1-ylmethyl)benzamide
CID 3132819
(3R)-N-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl]-3-(2-hydroxyphenyl)-3-phenylpropanamide
CID 1147532
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 154806392
2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-N-(2-pyrrol-1-ylethyl)acetamide
CID 95784485
N'-(3,4-dihydro-1H-isochromen-1-ylmethyl)-N-(2-phenylethyl)oxamide
CID 3146898
3-morpholin-4-yl-N-(2-phenylethyl)propanamide
CID 779164
N-[[(1R)-3,4-dihydro-1H-isochromen-1-yl]methyl]-3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide
CID 31125266

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-morpholin-4-ylpropanamide?
The IUPAC name of N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-morpholin-4-ylpropanamide (CID 2902614) is N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-morpholin-4-ylpropanamide.
What is the SMILES notation for N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-morpholin-4-ylpropanamide?
The canonical SMILES for N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-morpholin-4-ylpropanamide is O=C(CCN1CCOCC1)NCC1OCCc2ccccc21.
What is the InChIKey of N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-morpholin-4-ylpropanamide?
The InChIKey is KLZJKNZLDAMDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c20-17(5-7-19-8-11-21-12-9-19)18-13-16-15-4-2-1-3-14(15)6-10-22-16/h1-4,16H,5-13H2,(H,18,20).
What are the key properties of N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-morpholin-4-ylpropanamide?
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-morpholin-4-ylpropanamide has a molecular weight of 304.39 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-morpholin-4-ylpropanamide is sourced from PubChem (CID 2902614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).