N-(2-cyclopropylethyl)-3-(2-hydroxy-2-phenylethyl)morpholine-4-carboxamide

C18H26N2O3 — CID 109499752

IUPACN-(2-cyclopropylethyl)-3-(2-hydroxy-2-phenylethyl)morpholine-4-carboxamide
SMILESO=C(NCCC1CC1)N1CCOCC1CC(O)c1ccccc1
InChIInChI=1S/C18H26N2O3/c21-17(15-4-2-1-3-5-15)12-16-13-23-11-10-20(16)18(22)19-9-8-14-6-7-14/h1-5,14,16-17,21H,6-13H2,(H,19,22)
InChIKeyCQFFVOZBTHCZPF-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.32
Rot. Bonds6

About N-(2-cyclopropylethyl)-3-(2-hydroxy-2-phenylethyl)morpholine-4-carboxamide

N-(2-cyclopropylethyl)-3-(2-hydroxy-2-phenylethyl)morpholine-4-carboxamide (PubChem CID 109499752) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-(2-cyclopropylethyl)-3-(2-hydroxy-2-phenylethyl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopropylethyl)-3-(2-hydroxy-2-phenylethyl)morpholine-4-carboxamide
PubChem CID109499752
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC NameN-(2-cyclopropylethyl)-3-(2-hydroxy-2-phenylethyl)morpholine-4-carboxamide
SMILESO=C(NCCC1CC1)N1CCOCC1CC(O)c1ccccc1
InChIInChI=1S/C18H26N2O3/c21-17(15-4-2-1-3-5-15)12-16-13-23-11-10-20(16)18(22)19-9-8-14-6-7-14/h1-5,14,16-17,21H,6-13H2,(H,19,22)
InChIKeyCQFFVOZBTHCZPF-UHFFFAOYSA-N
XLogP2.32
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-cyclopropylcyclopropyl)methyl]-3-(2-hydroxy-2-phenylethyl)morpholine-4-carboxamide
CID 109499793
(3S)-N-(furan-2-ylmethyl)-3-[(2S)-2-hydroxy-2-phenylethyl]morpholine-4-carboxamide
CID 97014787
1-[3-(2-hydroxy-2-phenylethyl)morpholin-4-yl]prop-2-en-1-one
CID 166406225
(3R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-[(2R)-2-hydroxy-2-phenylethyl]morpholine-4-carboxamide
CID 96997622
(3R)-N-(4-cyclopentyloxyphenyl)-3-[(2S)-2-hydroxy-2-phenylethyl]morpholine-4-carboxamide
CID 97014789
(3S)-3-[(2S)-2-hydroxy-2-phenylethyl]-N-[2-(N-methylanilino)phenyl]morpholine-4-carboxamide
CID 97061516
(3S)-N-(4-acetamido-3-methoxyphenyl)-3-[(2R)-2-hydroxy-2-phenylethyl]morpholine-4-carboxamide
CID 97058385
(3R)-3-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]-N-(2-pyrrol-1-ylethyl)morpholine-4-carboxamide
CID 97244661
(3S)-3-[(2R)-2-hydroxypropyl]-N-(3,3,3-trifluoropropyl)morpholine-4-carboxamide
CID 99855644
(3R)-N-[2-(cyclopenten-1-yl)ethyl]-3-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]morpholine-4-carboxamide
CID 97244674
3-[2-(furan-2-yl)-2-hydroxyethyl]-N-prop-2-enylmorpholine-4-carboxamide
CID 109467719
4-[[[2-(2-hydroxy-2-phenylethyl)pyrrolidine-1-carbonyl]amino]methyl]benzoic acid
CID 122020978

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropylethyl)-3-(2-hydroxy-2-phenylethyl)morpholine-4-carboxamide?
The IUPAC name of N-(2-cyclopropylethyl)-3-(2-hydroxy-2-phenylethyl)morpholine-4-carboxamide (CID 109499752) is N-(2-cyclopropylethyl)-3-(2-hydroxy-2-phenylethyl)morpholine-4-carboxamide.
What is the SMILES notation for N-(2-cyclopropylethyl)-3-(2-hydroxy-2-phenylethyl)morpholine-4-carboxamide?
The canonical SMILES for N-(2-cyclopropylethyl)-3-(2-hydroxy-2-phenylethyl)morpholine-4-carboxamide is O=C(NCCC1CC1)N1CCOCC1CC(O)c1ccccc1.
What is the InChIKey of N-(2-cyclopropylethyl)-3-(2-hydroxy-2-phenylethyl)morpholine-4-carboxamide?
The InChIKey is CQFFVOZBTHCZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c21-17(15-4-2-1-3-5-15)12-16-13-23-11-10-20(16)18(22)19-9-8-14-6-7-14/h1-5,14,16-17,21H,6-13H2,(H,19,22).
What are the key properties of N-(2-cyclopropylethyl)-3-(2-hydroxy-2-phenylethyl)morpholine-4-carboxamide?
N-(2-cyclopropylethyl)-3-(2-hydroxy-2-phenylethyl)morpholine-4-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropylethyl)-3-(2-hydroxy-2-phenylethyl)morpholine-4-carboxamide is sourced from PubChem (CID 109499752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).