(2S)-2-ethyl-N-[(1-phenylcyclopropyl)methyl]morpholine-4-carboxamide

C17H24N2O2 — CID 94048674

IUPAC(2S)-2-ethyl-N-[(1-phenylcyclopropyl)methyl]morpholine-4-carboxamide
SMILESCC[C@H]1CN(C(=O)NCC2(c3ccccc3)CC2)CCO1
InChIInChI=1S/C17H24N2O2/c1-2-15-12-19(10-11-21-15)16(20)18-13-17(8-9-17)14-6-4-3-5-7-14/h3-7,15H,2,8-13H2,1H3,(H,18,20)/t15-/m0/s1
InChIKeyYNDXEMXBRXEHSC-HNNXBMFYSA-N
MW288.39 g/mol
LogP2.54
Rot. Bonds4

About (2S)-2-ethyl-N-[(1-phenylcyclopropyl)methyl]morpholine-4-carboxamide

(2S)-2-ethyl-N-[(1-phenylcyclopropyl)methyl]morpholine-4-carboxamide (PubChem CID 94048674) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is (2S)-2-ethyl-N-[(1-phenylcyclopropyl)methyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name(2S)-2-ethyl-N-[(1-phenylcyclopropyl)methyl]morpholine-4-carboxamide
PubChem CID94048674
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name(2S)-2-ethyl-N-[(1-phenylcyclopropyl)methyl]morpholine-4-carboxamide
SMILESCC[C@H]1CN(C(=O)NCC2(c3ccccc3)CC2)CCO1
InChIInChI=1S/C17H24N2O2/c1-2-15-12-19(10-11-21-15)16(20)18-13-17(8-9-17)14-6-4-3-5-7-14/h3-7,15H,2,8-13H2,1H3,(H,18,20)/t15-/m0/s1
InChIKeyYNDXEMXBRXEHSC-HNNXBMFYSA-N
XLogP2.54
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzylmorpholine-4-carboxamide
CID 760018
N-(3-phenylpropyl)morpholine-4-carboxamide
CID 1973120
N-(1-phenylethyl)morpholine-4-carboxamide
CID 3136314
N-[1-(3-isopropenylphenyl)-1-methylethyl]-2,6-dimethyl-4-morpholinecarboxamide
CID 2883152
N-[2-(4-fluorophenyl)ethyl]morpholine-4-carboxamide
CID 831447
N-[1-(3-isopropenylphenyl)-1-methylethyl]-4-morpholinecarboxamide
CID 2788460
N-(4-phenylbutan-2-yl)morpholine-4-carboxamide
CID 2915222
1-(3-Morpholin-4-ylpropyl)-3-(2-phenylethyl)urea
CID 38155390
1-(2-Morpholin-4-ylethyl)-3-(4-phenylbutyl)urea
CID 118398512
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

Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethyl-N-[(1-phenylcyclopropyl)methyl]morpholine-4-carboxamide?
The IUPAC name of (2S)-2-ethyl-N-[(1-phenylcyclopropyl)methyl]morpholine-4-carboxamide (CID 94048674) is (2S)-2-ethyl-N-[(1-phenylcyclopropyl)methyl]morpholine-4-carboxamide.
What is the SMILES notation for (2S)-2-ethyl-N-[(1-phenylcyclopropyl)methyl]morpholine-4-carboxamide?
The canonical SMILES for (2S)-2-ethyl-N-[(1-phenylcyclopropyl)methyl]morpholine-4-carboxamide is CC[C@H]1CN(C(=O)NCC2(c3ccccc3)CC2)CCO1.
What is the InChIKey of (2S)-2-ethyl-N-[(1-phenylcyclopropyl)methyl]morpholine-4-carboxamide?
The InChIKey is YNDXEMXBRXEHSC-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-2-15-12-19(10-11-21-15)16(20)18-13-17(8-9-17)14-6-4-3-5-7-14/h3-7,15H,2,8-13H2,1H3,(H,18,20)/t15-/m0/s1.
What are the key properties of (2S)-2-ethyl-N-[(1-phenylcyclopropyl)methyl]morpholine-4-carboxamide?
(2S)-2-ethyl-N-[(1-phenylcyclopropyl)methyl]morpholine-4-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethyl-N-[(1-phenylcyclopropyl)methyl]morpholine-4-carboxamide is sourced from PubChem (CID 94048674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).