2-(2,4-dimethoxyphenyl)-2-[(3,4-dimethoxyphenyl)carbamoylamino]acetic acid

C19H22N2O7 — CID 119037269

IUPAC2-(2,4-dimethoxyphenyl)-2-[(3,4-dimethoxyphenyl)carbamoylamino]acetic acid
SMILESCOc1ccc(C(NC(=O)Nc2ccc(OC)c(OC)c2)C(=O)O)c(OC)c1
InChIInChI=1S/C19H22N2O7/c1-25-12-6-7-13(15(10-12)27-3)17(18(22)23)21-19(24)20-11-5-8-14(26-2)16(9-11)28-4/h5-10,17H,1-4H3,(H,22,23)(H2,20,21,24)
InChIKeyRYKYNTYYLVZTMP-UHFFFAOYSA-N
MW390.39 g/mol
LogP2.67
Rot. Bonds8

About 2-(2,4-dimethoxyphenyl)-2-[(3,4-dimethoxyphenyl)carbamoylamino]acetic acid

2-(2,4-dimethoxyphenyl)-2-[(3,4-dimethoxyphenyl)carbamoylamino]acetic acid (PubChem CID 119037269) has the molecular formula C19H22N2O7 and a molecular weight of 390.39 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-2-[(3,4-dimethoxyphenyl)carbamoylamino]acetic acid.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)-2-[(3,4-dimethoxyphenyl)carbamoylamino]acetic acid
PubChem CID119037269
Molecular FormulaC19H22N2O7
Molecular Weight390.39 g/mol
Exact Mass390.14
IUPAC Name2-(2,4-dimethoxyphenyl)-2-[(3,4-dimethoxyphenyl)carbamoylamino]acetic acid
SMILESCOc1ccc(C(NC(=O)Nc2ccc(OC)c(OC)c2)C(=O)O)c(OC)c1
InChIInChI=1S/C19H22N2O7/c1-25-12-6-7-13(15(10-12)27-3)17(18(22)23)21-19(24)20-11-5-8-14(26-2)16(9-11)28-4/h5-10,17H,1-4H3,(H,22,23)(H2,20,21,24)
InChIKeyRYKYNTYYLVZTMP-UHFFFAOYSA-N
XLogP2.67
TPSA115.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.39
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(3,4-dimethoxyphenyl)carbamoylamino]-2-hydroxypropanoic acid
CID 66167135
2-(2,4-dimethoxyphenyl)-2-(methylamino)acetamide
CID 60797020
1-[1-(4-chlorophenoxy)ethyl]-3-(3,4-dimethoxyphenyl)urea
CID 108879704
1-[1-(2,4-difluorophenyl)ethyl]-3-(3,4-dimethoxyphenyl)urea
CID 47032164
1-(2,3-dihydro-1H-inden-5-yl)-3-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]urea
CID 29038554
1-(3-methoxy-4-phenoxyphenyl)-3-(3-methoxyphenyl)urea
CID 139434076
(2R)-2-[(2,4-dimethoxyphenyl)carbamoylamino]-3-methylbutanoic acid
CID 79009289
1-(3,4-dimethoxyphenyl)-3-(4-propan-2-ylphenyl)urea
CID 4995213
4-(3,4-dimethoxyanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103496094
1-(4-methoxyphenyl)-3-propan-2-ylurea
CID 4616042
(2S)-2-[(4-bromo-3-methoxyphenyl)carbamoylamino]-3-methylbutanoic acid
CID 82859069
1-(3,4-dimethoxyphenyl)-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
CID 113214699

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)-2-[(3,4-dimethoxyphenyl)carbamoylamino]acetic acid?
The IUPAC name of 2-(2,4-dimethoxyphenyl)-2-[(3,4-dimethoxyphenyl)carbamoylamino]acetic acid (CID 119037269) is 2-(2,4-dimethoxyphenyl)-2-[(3,4-dimethoxyphenyl)carbamoylamino]acetic acid.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-2-[(3,4-dimethoxyphenyl)carbamoylamino]acetic acid?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)-2-[(3,4-dimethoxyphenyl)carbamoylamino]acetic acid is COc1ccc(C(NC(=O)Nc2ccc(OC)c(OC)c2)C(=O)O)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)-2-[(3,4-dimethoxyphenyl)carbamoylamino]acetic acid?
The InChIKey is RYKYNTYYLVZTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O7/c1-25-12-6-7-13(15(10-12)27-3)17(18(22)23)21-19(24)20-11-5-8-14(26-2)16(9-11)28-4/h5-10,17H,1-4H3,(H,22,23)(H2,20,21,24).
What are the key properties of 2-(2,4-dimethoxyphenyl)-2-[(3,4-dimethoxyphenyl)carbamoylamino]acetic acid?
2-(2,4-dimethoxyphenyl)-2-[(3,4-dimethoxyphenyl)carbamoylamino]acetic acid has a molecular weight of 390.39 g/mol, XLogP of 2.67, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)-2-[(3,4-dimethoxyphenyl)carbamoylamino]acetic acid is sourced from PubChem (CID 119037269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).