4-(cyclobutylmethyl)-N-[3-(hydroxymethyl)phenyl]morpholine-3-carboxamide

C17H24N2O3 — CID 86801210

IUPAC4-(cyclobutylmethyl)-N-[3-(hydroxymethyl)phenyl]morpholine-3-carboxamide
SMILESO=C(Nc1cccc(CO)c1)C1COCCN1CC1CCC1
InChIInChI=1S/C17H24N2O3/c20-11-14-5-2-6-15(9-14)18-17(21)16-12-22-8-7-19(16)10-13-3-1-4-13/h2,5-6,9,13,16,20H,1,3-4,7-8,10-12H2,(H,18,21)
InChIKeyLBEXSLRWHKFHGS-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.62
Rot. Bonds5

About 4-(cyclobutylmethyl)-N-[3-(hydroxymethyl)phenyl]morpholine-3-carboxamide

4-(cyclobutylmethyl)-N-[3-(hydroxymethyl)phenyl]morpholine-3-carboxamide (PubChem CID 86801210) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 4-(cyclobutylmethyl)-N-[3-(hydroxymethyl)phenyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name4-(cyclobutylmethyl)-N-[3-(hydroxymethyl)phenyl]morpholine-3-carboxamide
PubChem CID86801210
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name4-(cyclobutylmethyl)-N-[3-(hydroxymethyl)phenyl]morpholine-3-carboxamide
SMILESO=C(Nc1cccc(CO)c1)C1COCCN1CC1CCC1
InChIInChI=1S/C17H24N2O3/c20-11-14-5-2-6-15(9-14)18-17(21)16-12-22-8-7-19(16)10-13-3-1-4-13/h2,5-6,9,13,16,20H,1,3-4,7-8,10-12H2,(H,18,21)
InChIKeyLBEXSLRWHKFHGS-UHFFFAOYSA-N
XLogP1.62
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(cyclobutylmethyl)-N-[3-(difluoromethylsulfonyl)phenyl]morpholine-3-carboxamide
CID 126776905
(3R)-N-[2-(3-chloroanilino)-2-oxoethyl]-4-(cyclobutylmethyl)-N-methylmorpholine-3-carboxamide
CID 99787391
(3S)-4-(cyclobutylmethyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholine-3-carboxamide
CID 124618201
N-[3-(hydroxymethyl)phenyl]-2-methylcyclopentane-1-carboxamide
CID 113415137
N-[3-(hydroxymethyl)phenyl]-2-(oxolan-2-yl)acetamide
CID 65155963
N-[3-(hydroxymethyl)phenyl]-2-methyloxolane-3-carboxamide
CID 79759466
(3S)-4-(cyclobutylmethyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)morpholine-3-carboxamide
CID 124619070
5-[[3-(hydroxymethyl)phenyl]carbamoyl]oxolane-2-carboxylic acid
CID 102687982
N-[3-(hydroxymethyl)phenyl]pyrrolidine-1-carboxamide
CID 112725657
N-[3-(chloromethyl)phenyl]oxolane-3-carboxamide
CID 114293301
N-[3-(bromomethyl)phenyl]oxolane-3-carboxamide
CID 114307353
N-[3-(hydroxymethyl)phenyl]azepane-1-carboxamide
CID 79151936

Frequently Asked Questions

What is the IUPAC name of 4-(cyclobutylmethyl)-N-[3-(hydroxymethyl)phenyl]morpholine-3-carboxamide?
The IUPAC name of 4-(cyclobutylmethyl)-N-[3-(hydroxymethyl)phenyl]morpholine-3-carboxamide (CID 86801210) is 4-(cyclobutylmethyl)-N-[3-(hydroxymethyl)phenyl]morpholine-3-carboxamide.
What is the SMILES notation for 4-(cyclobutylmethyl)-N-[3-(hydroxymethyl)phenyl]morpholine-3-carboxamide?
The canonical SMILES for 4-(cyclobutylmethyl)-N-[3-(hydroxymethyl)phenyl]morpholine-3-carboxamide is O=C(Nc1cccc(CO)c1)C1COCCN1CC1CCC1.
What is the InChIKey of 4-(cyclobutylmethyl)-N-[3-(hydroxymethyl)phenyl]morpholine-3-carboxamide?
The InChIKey is LBEXSLRWHKFHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c20-11-14-5-2-6-15(9-14)18-17(21)16-12-22-8-7-19(16)10-13-3-1-4-13/h2,5-6,9,13,16,20H,1,3-4,7-8,10-12H2,(H,18,21).
What are the key properties of 4-(cyclobutylmethyl)-N-[3-(hydroxymethyl)phenyl]morpholine-3-carboxamide?
4-(cyclobutylmethyl)-N-[3-(hydroxymethyl)phenyl]morpholine-3-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclobutylmethyl)-N-[3-(hydroxymethyl)phenyl]morpholine-3-carboxamide is sourced from PubChem (CID 86801210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).