3-(2-hydroxypropyl)-N-[(2-methylcyclopropyl)-phenylmethyl]morpholine-4-carboxamide

C19H28N2O3 — CID 86795783

IUPAC3-(2-hydroxypropyl)-N-[(2-methylcyclopropyl)-phenylmethyl]morpholine-4-carboxamide
SMILESCC(O)CC1COCCN1C(=O)NC(c1ccccc1)C1CC1C
InChIInChI=1S/C19H28N2O3/c1-13-10-17(13)18(15-6-4-3-5-7-15)20-19(23)21-8-9-24-12-16(21)11-14(2)22/h3-7,13-14,16-18,22H,8-12H2,1-2H3,(H,20,23)
InChIKeyTYANCLPESYEJDW-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.57
Rot. Bonds5

About 3-(2-hydroxypropyl)-N-[(2-methylcyclopropyl)-phenylmethyl]morpholine-4-carboxamide

3-(2-hydroxypropyl)-N-[(2-methylcyclopropyl)-phenylmethyl]morpholine-4-carboxamide (PubChem CID 86795783) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 3-(2-hydroxypropyl)-N-[(2-methylcyclopropyl)-phenylmethyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name3-(2-hydroxypropyl)-N-[(2-methylcyclopropyl)-phenylmethyl]morpholine-4-carboxamide
PubChem CID86795783
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name3-(2-hydroxypropyl)-N-[(2-methylcyclopropyl)-phenylmethyl]morpholine-4-carboxamide
SMILESCC(O)CC1COCCN1C(=O)NC(c1ccccc1)C1CC1C
InChIInChI=1S/C19H28N2O3/c1-13-10-17(13)18(15-6-4-3-5-7-15)20-19(23)21-8-9-24-12-16(21)11-14(2)22/h3-7,13-14,16-18,22H,8-12H2,1-2H3,(H,20,23)
InChIKeyTYANCLPESYEJDW-UHFFFAOYSA-N
XLogP2.57
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4R,5R,6R)-1,6-dibenzyl-5-hydroxy-4-(2-phenylethyl)-1,3-diazinan-2-one
CID 468423
N-(diphenylmethyl)morpholin-4-ylcarboxamide
CID 1538456
N-(1-phenylethyl)morpholine-4-carboxamide
CID 3136314
N-[1-(3-isopropenylphenyl)-1-methylethyl]-2,6-dimethyl-4-morpholinecarboxamide
CID 2883152
(RS)-3-(hydroxymethyl)-N-(1-phenylethyl)piperidine-1-carboxamide
CID 24748400
1,6-Dibenzyl-5-hydroxy-4-(2-phenylethyl)-1,3-diazinan-2-one
CID 76331273
US9670210, Example 15 N-({1-[(3-Methoxypiperidin-1-yl)carbonyl]azetidin-3-yl}methyl)-trans-2-phenylcyclopropanamine
CID 118290900
US9670210, Example 109 (3R)-1-{[4-(methoxymethyl)-4-({[(1R,2S)-2-phenylcyclopropyl]amino}methyl)piperidin-1-yl]carbonyl}piperidin-3-ol
CID 118302753
US9670210, Example 110 (3S)-1-{[4-(methoxymethyl)-4-({[(1R,2S)-2-phenylcyclopropyl]amino}methyl)piperidin-1-yl]carbonyl}piperidin-3-ol
CID 118302754
US9670210, Example 61 (3S)-1-{[4-(methoxymethyl)-4-({[(1R,2S)-2-phenylcyclopropyl]amino}methyl)piperidin-1-yl]carbonyl}pyrrolidin-3-ol
CID 118302782
US9670210, Example 60 (3R)-1-{[4-(methoxymethyl)-4-({[(1R,2S)-2-phenylcyclopropyl]amino}methyl)piperidin-1-yl]carbonyl}pyrrolidin-3-ol
CID 118302831
US9670210, Example 112 1-{[4-(methoxymethyl)-4-({[(1R,2S)-2-phenylcyclopropyl]amino}methyl)piperidin-1-yl]carbonyl}piperidin-4-ol
CID 118302847

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxypropyl)-N-[(2-methylcyclopropyl)-phenylmethyl]morpholine-4-carboxamide?
The IUPAC name of 3-(2-hydroxypropyl)-N-[(2-methylcyclopropyl)-phenylmethyl]morpholine-4-carboxamide (CID 86795783) is 3-(2-hydroxypropyl)-N-[(2-methylcyclopropyl)-phenylmethyl]morpholine-4-carboxamide.
What is the SMILES notation for 3-(2-hydroxypropyl)-N-[(2-methylcyclopropyl)-phenylmethyl]morpholine-4-carboxamide?
The canonical SMILES for 3-(2-hydroxypropyl)-N-[(2-methylcyclopropyl)-phenylmethyl]morpholine-4-carboxamide is CC(O)CC1COCCN1C(=O)NC(c1ccccc1)C1CC1C.
What is the InChIKey of 3-(2-hydroxypropyl)-N-[(2-methylcyclopropyl)-phenylmethyl]morpholine-4-carboxamide?
The InChIKey is TYANCLPESYEJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-13-10-17(13)18(15-6-4-3-5-7-15)20-19(23)21-8-9-24-12-16(21)11-14(2)22/h3-7,13-14,16-18,22H,8-12H2,1-2H3,(H,20,23).
What are the key properties of 3-(2-hydroxypropyl)-N-[(2-methylcyclopropyl)-phenylmethyl]morpholine-4-carboxamide?
3-(2-hydroxypropyl)-N-[(2-methylcyclopropyl)-phenylmethyl]morpholine-4-carboxamide has a molecular weight of 332.44 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxypropyl)-N-[(2-methylcyclopropyl)-phenylmethyl]morpholine-4-carboxamide is sourced from PubChem (CID 86795783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).