3-(2-hydroxypropyl)-N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)morpholine-4-carboxamide

C19H28N2O3 — CID 86795747

IUPAC3-(2-hydroxypropyl)-N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)morpholine-4-carboxamide
SMILESCC(O)CC1COCCN1C(=O)NC1CCC(C)c2ccccc21
InChIInChI=1S/C19H28N2O3/c1-13-7-8-18(17-6-4-3-5-16(13)17)20-19(23)21-9-10-24-12-15(21)11-14(2)22/h3-6,13-15,18,22H,7-12H2,1-2H3,(H,20,23)
InChIKeyQCYMWRPFTMNYGI-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.81
Rot. Bonds3

About 3-(2-hydroxypropyl)-N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)morpholine-4-carboxamide

3-(2-hydroxypropyl)-N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)morpholine-4-carboxamide (PubChem CID 86795747) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 3-(2-hydroxypropyl)-N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)morpholine-4-carboxamide.

Molecular Properties

Compound Name3-(2-hydroxypropyl)-N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)morpholine-4-carboxamide
PubChem CID86795747
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name3-(2-hydroxypropyl)-N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)morpholine-4-carboxamide
SMILESCC(O)CC1COCCN1C(=O)NC1CCC(C)c2ccccc21
InChIInChI=1S/C19H28N2O3/c1-13-7-8-18(17-6-4-3-5-16(13)17)20-19(23)21-9-10-24-12-15(21)11-14(2)22/h3-6,13-15,18,22H,7-12H2,1-2H3,(H,20,23)
InChIKeyQCYMWRPFTMNYGI-UHFFFAOYSA-N
XLogP2.81
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-Ethyl-1-(3-hydroxypropyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 71857908
1-(3-Hydroxypropyl)-3-(2-morpholin-4-ylethyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 71857909
2-(hydroxymethyl)-N-(naphthalen-1-ylmethyl)piperidine-1-carboxamide
CID 172435114
(3S)-N-[(1R)-1-(2,3-difluorophenyl)ethyl]-3-[(2S)-2-hydroxypropyl]morpholine-4-carboxamide
CID 129429304
1-benzhydryl-3-(3-hydroxy-3-(tetrahydro-2H-pyran-4-yl)propyl)urea
CID 86266701
(S)-3-{3-[(1-naphthyl)methyl]ureido}-1-(tetrahydro-4H-pyran-4-yl)-1-propanol
CID 99997204
1-(1-Benzyl-3-methylpiperidin-4-yl)-3-(2-hydroxycyclohexyl)urea
CID 71861927
N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-(2-hydroxypropyl)morpholine-4-carboxamide
CID 75509306
3-(2-hydroxypropyl)-N-[(2-methylcyclopropyl)-phenylmethyl]morpholine-4-carboxamide
CID 86795783
N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(2-hydroxypropyl)morpholine-4-carboxamide
CID 86795803
3-(2-hydroxypropyl)-N-[[3-(trifluoromethyl)phenyl]methyl]morpholine-4-carboxamide
CID 91660761
1-[[1-(Hydroxymethyl)cyclopropyl]methyl]-1-methyl-3-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 121516045

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxypropyl)-N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)morpholine-4-carboxamide?
The IUPAC name of 3-(2-hydroxypropyl)-N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)morpholine-4-carboxamide (CID 86795747) is 3-(2-hydroxypropyl)-N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)morpholine-4-carboxamide.
What is the SMILES notation for 3-(2-hydroxypropyl)-N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)morpholine-4-carboxamide?
The canonical SMILES for 3-(2-hydroxypropyl)-N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)morpholine-4-carboxamide is CC(O)CC1COCCN1C(=O)NC1CCC(C)c2ccccc21.
What is the InChIKey of 3-(2-hydroxypropyl)-N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)morpholine-4-carboxamide?
The InChIKey is QCYMWRPFTMNYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-13-7-8-18(17-6-4-3-5-16(13)17)20-19(23)21-9-10-24-12-15(21)11-14(2)22/h3-6,13-15,18,22H,7-12H2,1-2H3,(H,20,23).
What are the key properties of 3-(2-hydroxypropyl)-N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)morpholine-4-carboxamide?
3-(2-hydroxypropyl)-N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)morpholine-4-carboxamide has a molecular weight of 332.44 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxypropyl)-N-(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)morpholine-4-carboxamide is sourced from PubChem (CID 86795747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).