[2-[2-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]-[[(2R)-oxolan-2-yl]methyl]azanium

C21H26N3O4+ — CID 8000807

IUPAC[2-[2-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]-[[(2R)-oxolan-2-yl]methyl]azanium
SMILESCOc1ccc(NC(=O)c2ccccc2NC(=O)C[NH2+]C[C@H]2CCCO2)cc1
InChIInChI=1S/C21H25N3O4/c1-27-16-10-8-15(9-11-16)23-21(26)18-6-2-3-7-19(18)24-20(25)14-22-13-17-5-4-12-28-17/h2-3,6-11,17,22H,4-5,12-14H2,1H3,(H,23,26)(H,24,25)/p+1/t17-/m1/s1
InChIKeyXFEMIARKVJDRSB-QGZVFWFLSA-O
MW384.46 g/mol
LogP1.63
Rot. Bonds8

About [2-[2-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]-[[(2R)-oxolan-2-yl]methyl]azanium

[2-[2-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]-[[(2R)-oxolan-2-yl]methyl]azanium (PubChem CID 8000807) has the molecular formula C21H26N3O4+ and a molecular weight of 384.46 g/mol. Its IUPAC name is [2-[2-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]-[[(2R)-oxolan-2-yl]methyl]azanium.

Molecular Properties

Compound Name[2-[2-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]-[[(2R)-oxolan-2-yl]methyl]azanium
PubChem CID8000807
Molecular FormulaC21H26N3O4+
Molecular Weight384.46 g/mol
Exact Mass384.19
IUPAC Name[2-[2-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]-[[(2R)-oxolan-2-yl]methyl]azanium
SMILESCOc1ccc(NC(=O)c2ccccc2NC(=O)C[NH2+]C[C@H]2CCCO2)cc1
InChIInChI=1S/C21H25N3O4/c1-27-16-10-8-15(9-11-16)23-21(26)18-6-2-3-7-19(18)24-20(25)14-22-13-17-5-4-12-28-17/h2-3,6-11,17,22H,4-5,12-14H2,1H3,(H,23,26)(H,24,25)/p+1/t17-/m1/s1
InChIKeyXFEMIARKVJDRSB-QGZVFWFLSA-O
XLogP1.63
TPSA93.27 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze [2-[2-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]-[[(2R)-oxolan-2-yl]methyl]azanium with MolForge

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Related Compounds

cyclooctyl-[2-[2-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]azanium
CID 9265622
(2R)-N-[2-[(4-methoxyphenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 1250184
N-(3-methoxyphenyl)-2-[[2-(oxolan-2-ylmethylamino)acetyl]amino]benzamide;hydrochloride
CID 119680052
2-methyl-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 9295083
2-[(4-methoxybenzoyl)amino]-N-[3-(oxan-2-ylmethoxymethyl)phenyl]benzamide
CID 55932192
[2-(cyclopropylamino)-2-oxoethyl]-[2-[2-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]-methylazanium
CID 9053489
[2-(4-methoxyanilino)-2-oxoethyl] 2-(oxolan-2-ylmethylsulfanyl)benzoate
CID 55403738
N-(4-methoxyphenyl)-2-[[2-(2-methoxyphenyl)acetyl]amino]benzamide
CID 2975281
2-[[4-(oxolan-2-ylmethoxy)phenyl]carbamoyl]benzoic acid
CID 4957872
cis-(1R,2S)-2-[[2-[(4-methoxyphenyl)carbamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 982067
N-(4-methoxyphenyl)-2-[(2-thiophen-2-ylacetyl)amino]benzamide
CID 2975011
methyl 4-oxo-4-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]anilino]butanoate
CID 7248308

Frequently Asked Questions

What is the IUPAC name of [2-[2-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]-[[(2R)-oxolan-2-yl]methyl]azanium?
The IUPAC name of [2-[2-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]-[[(2R)-oxolan-2-yl]methyl]azanium (CID 8000807) is [2-[2-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]-[[(2R)-oxolan-2-yl]methyl]azanium.
What is the SMILES notation for [2-[2-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]-[[(2R)-oxolan-2-yl]methyl]azanium?
The canonical SMILES for [2-[2-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]-[[(2R)-oxolan-2-yl]methyl]azanium is COc1ccc(NC(=O)c2ccccc2NC(=O)C[NH2+]C[C@H]2CCCO2)cc1.
What is the InChIKey of [2-[2-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]-[[(2R)-oxolan-2-yl]methyl]azanium?
The InChIKey is XFEMIARKVJDRSB-QGZVFWFLSA-O. The full InChI is InChI=1S/C21H25N3O4/c1-27-16-10-8-15(9-11-16)23-21(26)18-6-2-3-7-19(18)24-20(25)14-22-13-17-5-4-12-28-17/h2-3,6-11,17,22H,4-5,12-14H2,1H3,(H,23,26)(H,24,25)/p+1/t17-/m1/s1.
What are the key properties of [2-[2-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]-[[(2R)-oxolan-2-yl]methyl]azanium?
[2-[2-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]-[[(2R)-oxolan-2-yl]methyl]azanium has a molecular weight of 384.46 g/mol, XLogP of 1.63, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]-[[(2R)-oxolan-2-yl]methyl]azanium is sourced from PubChem (CID 8000807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).