(2S)-N-(4-methylphenyl)-2-morpholin-4-ium-4-yl-2-phenylacetamide

C19H23N2O2+ — CID 6991525

IUPAC(2S)-N-(4-methylphenyl)-2-morpholin-4-ium-4-yl-2-phenylacetamide
SMILESCc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCOCC2)cc1
InChIInChI=1S/C19H22N2O2/c1-15-7-9-17(10-8-15)20-19(22)18(16-5-3-2-4-6-16)21-11-13-23-14-12-21/h2-10,18H,11-14H2,1H3,(H,20,22)/p+1/t18-/m0/s1
InChIKeyMNCYFJMQRXUKSB-SFHVURJKSA-O
MW311.41 g/mol
LogP1.59
Rot. Bonds4

About (2S)-N-(4-methylphenyl)-2-morpholin-4-ium-4-yl-2-phenylacetamide

(2S)-N-(4-methylphenyl)-2-morpholin-4-ium-4-yl-2-phenylacetamide (PubChem CID 6991525) has the molecular formula C19H23N2O2+ and a molecular weight of 311.41 g/mol. Its IUPAC name is (2S)-N-(4-methylphenyl)-2-morpholin-4-ium-4-yl-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-N-(4-methylphenyl)-2-morpholin-4-ium-4-yl-2-phenylacetamide
PubChem CID6991525
Molecular FormulaC19H23N2O2+
Molecular Weight311.41 g/mol
Exact Mass311.18
IUPAC Name(2S)-N-(4-methylphenyl)-2-morpholin-4-ium-4-yl-2-phenylacetamide
SMILESCc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCOCC2)cc1
InChIInChI=1S/C19H22N2O2/c1-15-7-9-17(10-8-15)20-19(22)18(16-5-3-2-4-6-16)21-11-13-23-14-12-21/h2-10,18H,11-14H2,1H3,(H,20,22)/p+1/t18-/m0/s1
InChIKeyMNCYFJMQRXUKSB-SFHVURJKSA-O
XLogP1.59
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-morpholin-4-ium-4-yl-2-phenyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 7393141
ethyl 2-morpholin-4-ium-4-yl-2-phenylacetate
CID 3435189
2-hydroxy-N-(4-methylphenyl)-2-phenylacetamide
CID 3709657
N-(2,6-dimethylphenyl)-2-phenyl-2-(4-phenylpiperazin-1-ium-1-yl)acetamide
CID 4986317
[(R)-(4-methylphenyl)-phenylmethyl]-[2-[4-(morpholin-4-ium-4-ylmethyl)anilino]-2-oxoethyl]azanium
CID 8641390
(2R)-N-(3-chloro-4-methylphenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]-2-phenylacetamide
CID 2448804
1-[(1S,2R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]-3-phenylurea
CID 2325919
methyl 2-[[(2S)-2-morpholin-4-ium-4-yl-2-phenylacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 7274397
1-(4-methylphenyl)-3-(2-morpholin-4-ium-4-yl-2-pyridin-3-ylethyl)urea
CID 5211916
(2R)-N-(3-chloro-4-methoxyphenyl)-2-phenyl-2-(4-phenylpiperazin-1-ium-1-yl)acetamide
CID 2549165
(2R)-N-(4-methylphenyl)-2-phenylbutanamide
CID 835806
2-hydroxy-N-[(Z)-[(1R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-ylidene]amino]benzamide
CID 9212466

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-methylphenyl)-2-morpholin-4-ium-4-yl-2-phenylacetamide?
The IUPAC name of (2S)-N-(4-methylphenyl)-2-morpholin-4-ium-4-yl-2-phenylacetamide (CID 6991525) is (2S)-N-(4-methylphenyl)-2-morpholin-4-ium-4-yl-2-phenylacetamide.
What is the SMILES notation for (2S)-N-(4-methylphenyl)-2-morpholin-4-ium-4-yl-2-phenylacetamide?
The canonical SMILES for (2S)-N-(4-methylphenyl)-2-morpholin-4-ium-4-yl-2-phenylacetamide is Cc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCOCC2)cc1.
What is the InChIKey of (2S)-N-(4-methylphenyl)-2-morpholin-4-ium-4-yl-2-phenylacetamide?
The InChIKey is MNCYFJMQRXUKSB-SFHVURJKSA-O. The full InChI is InChI=1S/C19H22N2O2/c1-15-7-9-17(10-8-15)20-19(22)18(16-5-3-2-4-6-16)21-11-13-23-14-12-21/h2-10,18H,11-14H2,1H3,(H,20,22)/p+1/t18-/m0/s1.
What are the key properties of (2S)-N-(4-methylphenyl)-2-morpholin-4-ium-4-yl-2-phenylacetamide?
(2S)-N-(4-methylphenyl)-2-morpholin-4-ium-4-yl-2-phenylacetamide has a molecular weight of 311.41 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-methylphenyl)-2-morpholin-4-ium-4-yl-2-phenylacetamide is sourced from PubChem (CID 6991525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).