dimethyl 5-[(3-propan-2-yloxybenzoyl)amino]benzene-1,3-dicarboxylate

C20H21NO6 — CID 1339052

IUPACdimethyl 5-[(3-propan-2-yloxybenzoyl)amino]benzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(NC(=O)c2cccc(OC(C)C)c2)cc(C(=O)OC)c1
InChIInChI=1S/C20H21NO6/c1-12(2)27-17-7-5-6-13(11-17)18(22)21-16-9-14(19(23)25-3)8-15(10-16)20(24)26-4/h5-12H,1-4H3,(H,21,22)
InChIKeyRTCNVWPTIQKRPH-UHFFFAOYSA-N
MW371.39 g/mol
LogP3.30
Rot. Bonds6

About dimethyl 5-[(3-propan-2-yloxybenzoyl)amino]benzene-1,3-dicarboxylate

dimethyl 5-[(3-propan-2-yloxybenzoyl)amino]benzene-1,3-dicarboxylate (PubChem CID 1339052) has the molecular formula C20H21NO6 and a molecular weight of 371.39 g/mol. Its IUPAC name is dimethyl 5-[(3-propan-2-yloxybenzoyl)amino]benzene-1,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-[(3-propan-2-yloxybenzoyl)amino]benzene-1,3-dicarboxylate
PubChem CID1339052
Molecular FormulaC20H21NO6
Molecular Weight371.39 g/mol
Exact Mass371.14
IUPAC Namedimethyl 5-[(3-propan-2-yloxybenzoyl)amino]benzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(NC(=O)c2cccc(OC(C)C)c2)cc(C(=O)OC)c1
InChIInChI=1S/C20H21NO6/c1-12(2)27-17-7-5-6-13(11-17)18(22)21-16-9-14(19(23)25-3)8-15(10-16)20(24)26-4/h5-12H,1-4H3,(H,21,22)
InChIKeyRTCNVWPTIQKRPH-UHFFFAOYSA-N
XLogP3.30
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,5-dichlorophenyl)-3-propan-2-yloxybenzamide
CID 4318037
methyl 3-[(3-propan-2-yloxyphenyl)carbamothioylcarbamoyl]benzoate
CID 17175732
methyl 3-[(3-butan-2-yloxyphenyl)carbamoyl]benzoate
CID 17175369
3-propan-2-yloxy-N-[4-[[4-[(3-propan-2-yloxybenzoyl)amino]phenyl]methyl]phenyl]benzamide
CID 17142916
N-(4-phenoxyphenyl)-3-propan-2-yloxybenzamide
CID 8779117
N-(3-amino-4-bromophenyl)-3-propan-2-yloxybenzamide
CID 79753661
N-propan-2-yl-3-propan-2-yloxybenzamide
CID 8779048
methyl 3-(aminomethyl)-5-[(3-methoxybenzoyl)amino]benzoate
CID 118759148
methyl 2-[(3-propan-2-yloxybenzoyl)amino]-1,3-benzothiazole-6-carboxylate
CID 17128823
dimethyl 5-[[(2S)-2-phenoxypropanoyl]amino]benzene-1,3-dicarboxylate
CID 1353243
dimethyl 5-[[4-(difluoromethoxy)benzoyl]amino]benzene-1,3-dicarboxylate
CID 2682917
3-N-(4-fluorophenyl)-1-N-(4-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide
CID 109057469

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-[(3-propan-2-yloxybenzoyl)amino]benzene-1,3-dicarboxylate?
The IUPAC name of dimethyl 5-[(3-propan-2-yloxybenzoyl)amino]benzene-1,3-dicarboxylate (CID 1339052) is dimethyl 5-[(3-propan-2-yloxybenzoyl)amino]benzene-1,3-dicarboxylate.
What is the SMILES notation for dimethyl 5-[(3-propan-2-yloxybenzoyl)amino]benzene-1,3-dicarboxylate?
The canonical SMILES for dimethyl 5-[(3-propan-2-yloxybenzoyl)amino]benzene-1,3-dicarboxylate is COC(=O)c1cc(NC(=O)c2cccc(OC(C)C)c2)cc(C(=O)OC)c1.
What is the InChIKey of dimethyl 5-[(3-propan-2-yloxybenzoyl)amino]benzene-1,3-dicarboxylate?
The InChIKey is RTCNVWPTIQKRPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO6/c1-12(2)27-17-7-5-6-13(11-17)18(22)21-16-9-14(19(23)25-3)8-15(10-16)20(24)26-4/h5-12H,1-4H3,(H,21,22).
What are the key properties of dimethyl 5-[(3-propan-2-yloxybenzoyl)amino]benzene-1,3-dicarboxylate?
dimethyl 5-[(3-propan-2-yloxybenzoyl)amino]benzene-1,3-dicarboxylate has a molecular weight of 371.39 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-[(3-propan-2-yloxybenzoyl)amino]benzene-1,3-dicarboxylate is sourced from PubChem (CID 1339052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).