(2R)-N-(2-morpholin-4-ium-4-ylethyl)-2-(4-nitrophenyl)propanamide

C15H22N3O4+ — CID 7443030

IUPAC(2R)-N-(2-morpholin-4-ium-4-ylethyl)-2-(4-nitrophenyl)propanamide
SMILESC[C@@H](C(=O)NCC[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H21N3O4/c1-12(13-2-4-14(5-3-13)18(20)21)15(19)16-6-7-17-8-10-22-11-9-17/h2-5,12H,6-11H2,1H3,(H,16,19)/p+1/t12-/m1/s1
InChIKeyRCIHSUJVBOIIDR-GFCCVEGCSA-O
MW308.36 g/mol
LogP-0.27
Rot. Bonds6

About (2R)-N-(2-morpholin-4-ium-4-ylethyl)-2-(4-nitrophenyl)propanamide

(2R)-N-(2-morpholin-4-ium-4-ylethyl)-2-(4-nitrophenyl)propanamide (PubChem CID 7443030) has the molecular formula C15H22N3O4+ and a molecular weight of 308.36 g/mol. Its IUPAC name is (2R)-N-(2-morpholin-4-ium-4-ylethyl)-2-(4-nitrophenyl)propanamide.

Molecular Properties

Compound Name(2R)-N-(2-morpholin-4-ium-4-ylethyl)-2-(4-nitrophenyl)propanamide
PubChem CID7443030
Molecular FormulaC15H22N3O4+
Molecular Weight308.36 g/mol
Exact Mass308.16
IUPAC Name(2R)-N-(2-morpholin-4-ium-4-ylethyl)-2-(4-nitrophenyl)propanamide
SMILESC[C@@H](C(=O)NCC[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H21N3O4/c1-12(13-2-4-14(5-3-13)18(20)21)15(19)16-6-7-17-8-10-22-11-9-17/h2-5,12H,6-11H2,1H3,(H,16,19)/p+1/t12-/m1/s1
InChIKeyRCIHSUJVBOIIDR-GFCCVEGCSA-O
XLogP-0.27
TPSA85.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-morpholin-4-ium-4-ylethyl)-3-(4-nitrophenyl)prop-2-enamide
CID 4744532
1-(2-morpholin-4-ium-4-ylethyl)-3-(4-nitrophenyl)thiourea
CID 7066388
(2S)-2-(4-nitrophenyl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 894829
(2S)-N-[(4-chlorophenyl)methyl]-2-(4-nitrophenyl)propanamide
CID 966357
N-[2-(4-methoxyphenyl)ethyl]-2-(4-nitrophenyl)propanamide
CID 2944222
N-[(2-chlorophenyl)methyl]-2-(4-nitrophenyl)propanamide
CID 2943745
N-(2-morpholin-4-ium-4-ylethyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 7371488
(2R)-N-tert-butyl-2-(4-nitrophenyl)propanamide
CID 966380
(2S)-N-[(4-methoxyphenyl)methyl]-2-(4-nitrophenyl)propanamide
CID 894490
2-morpholin-4-ium-4-yl-N-[3-(4-nitroanilino)propyl]acetamide
CID 7371288
N-(2-morpholin-4-ium-4-ylethyl)-3,3-diphenylpropanamide
CID 6919320
2-(4-nitrophenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 2943822

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-morpholin-4-ium-4-ylethyl)-2-(4-nitrophenyl)propanamide?
The IUPAC name of (2R)-N-(2-morpholin-4-ium-4-ylethyl)-2-(4-nitrophenyl)propanamide (CID 7443030) is (2R)-N-(2-morpholin-4-ium-4-ylethyl)-2-(4-nitrophenyl)propanamide.
What is the SMILES notation for (2R)-N-(2-morpholin-4-ium-4-ylethyl)-2-(4-nitrophenyl)propanamide?
The canonical SMILES for (2R)-N-(2-morpholin-4-ium-4-ylethyl)-2-(4-nitrophenyl)propanamide is C[C@@H](C(=O)NCC[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (2R)-N-(2-morpholin-4-ium-4-ylethyl)-2-(4-nitrophenyl)propanamide?
The InChIKey is RCIHSUJVBOIIDR-GFCCVEGCSA-O. The full InChI is InChI=1S/C15H21N3O4/c1-12(13-2-4-14(5-3-13)18(20)21)15(19)16-6-7-17-8-10-22-11-9-17/h2-5,12H,6-11H2,1H3,(H,16,19)/p+1/t12-/m1/s1.
What are the key properties of (2R)-N-(2-morpholin-4-ium-4-ylethyl)-2-(4-nitrophenyl)propanamide?
(2R)-N-(2-morpholin-4-ium-4-ylethyl)-2-(4-nitrophenyl)propanamide has a molecular weight of 308.36 g/mol, XLogP of -0.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-morpholin-4-ium-4-ylethyl)-2-(4-nitrophenyl)propanamide is sourced from PubChem (CID 7443030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).