methyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[[4-(phenylcarbamoyl)phenyl]methyl]azanium

C20H26N3O2+ — CID 9050173

IUPACmethyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[[4-(phenylcarbamoyl)phenyl]methyl]azanium
SMILESCC(C)NC(=O)C[NH+](C)Cc1ccc(C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C20H25N3O2/c1-15(2)21-19(24)14-23(3)13-16-9-11-17(12-10-16)20(25)22-18-7-5-4-6-8-18/h4-12,15H,13-14H2,1-3H3,(H,21,24)(H,22,25)/p+1
InChIKeyMDMIKGDDOJQHEG-UHFFFAOYSA-O
MW340.45 g/mol
LogP1.48
Rot. Bonds7

About methyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[[4-(phenylcarbamoyl)phenyl]methyl]azanium

methyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[[4-(phenylcarbamoyl)phenyl]methyl]azanium (PubChem CID 9050173) has the molecular formula C20H26N3O2+ and a molecular weight of 340.45 g/mol. Its IUPAC name is methyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[[4-(phenylcarbamoyl)phenyl]methyl]azanium.

Molecular Properties

Compound Namemethyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[[4-(phenylcarbamoyl)phenyl]methyl]azanium
PubChem CID9050173
Molecular FormulaC20H26N3O2+
Molecular Weight340.45 g/mol
Exact Mass340.20
IUPAC Namemethyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[[4-(phenylcarbamoyl)phenyl]methyl]azanium
SMILESCC(C)NC(=O)C[NH+](C)Cc1ccc(C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C20H25N3O2/c1-15(2)21-19(24)14-23(3)13-16-9-11-17(12-10-16)20(25)22-18-7-5-4-6-8-18/h4-12,15H,13-14H2,1-3H3,(H,21,24)(H,22,25)/p+1
InChIKeyMDMIKGDDOJQHEG-UHFFFAOYSA-O
XLogP1.48
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-benzamido-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide
CID 39683129
[2-(diethylamino)-2-oxoethyl]-methyl-[[4-(phenylcarbamoyl)phenyl]methyl]azanium
CID 8692818
(2-anilino-2-oxoethyl)-benzyl-methylazanium
CID 8901163
N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-4-phenylbenzamide
CID 55610839
(2-anilino-2-oxoethyl)-[(4-tert-butylphenyl)methyl]-methylazanium
CID 8908661
[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium
CID 9125995
methyl-[2-oxo-2-(4-phenylanilino)ethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 9049397
methyl-[[4-(methylcarbamoyl)phenyl]methyl]-[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl]azanium
CID 9125720
methyl-[[4-(methylcarbamoyl)phenyl]methyl]-[2-oxo-2-(4-phenoxyanilino)ethyl]azanium
CID 9003305
(5-chlorothiophen-2-yl)methyl-methyl-[[4-(phenylcarbamoyl)phenyl]methyl]azanium
CID 8556053
[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl]-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium
CID 9124754
N-phenyl-4-[(1-phenylethylamino)methyl]benzamide
CID 17476101

Frequently Asked Questions

What is the IUPAC name of methyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[[4-(phenylcarbamoyl)phenyl]methyl]azanium?
The IUPAC name of methyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[[4-(phenylcarbamoyl)phenyl]methyl]azanium (CID 9050173) is methyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[[4-(phenylcarbamoyl)phenyl]methyl]azanium.
What is the SMILES notation for methyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[[4-(phenylcarbamoyl)phenyl]methyl]azanium?
The canonical SMILES for methyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[[4-(phenylcarbamoyl)phenyl]methyl]azanium is CC(C)NC(=O)C[NH+](C)Cc1ccc(C(=O)Nc2ccccc2)cc1.
What is the InChIKey of methyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[[4-(phenylcarbamoyl)phenyl]methyl]azanium?
The InChIKey is MDMIKGDDOJQHEG-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H25N3O2/c1-15(2)21-19(24)14-23(3)13-16-9-11-17(12-10-16)20(25)22-18-7-5-4-6-8-18/h4-12,15H,13-14H2,1-3H3,(H,21,24)(H,22,25)/p+1.
What are the key properties of methyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[[4-(phenylcarbamoyl)phenyl]methyl]azanium?
methyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[[4-(phenylcarbamoyl)phenyl]methyl]azanium has a molecular weight of 340.45 g/mol, XLogP of 1.48, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[[4-(phenylcarbamoyl)phenyl]methyl]azanium is sourced from PubChem (CID 9050173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).