trans-(1R,2R)-2-[4-[(3-methoxy-4-methylbenzoyl)amino]phenyl]cyclopropane-1-carboxylic acid

C19H19NO4 — CID 154806151

IUPACtrans-(1R,2R)-2-[4-[(3-methoxy-4-methylbenzoyl)amino]phenyl]cyclopropane-1-carboxylic acid
SMILESCOc1cc(C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)O)cc2)ccc1C
InChIInChI=1S/C19H19NO4/c1-11-3-4-13(9-17(11)24-2)18(21)20-14-7-5-12(6-8-14)15-10-16(15)19(22)23/h3-9,15-16H,10H2,1-2H3,(H,20,21)(H,22,23)/t15-,16+/m0/s1
InChIKeyCNJFPMPMNCYMEU-JKSUJKDBSA-N
MW325.36 g/mol
LogP3.44
Rot. Bonds5

About trans-(1R,2R)-2-[4-[(3-methoxy-4-methylbenzoyl)amino]phenyl]cyclopropane-1-carboxylic acid

trans-(1R,2R)-2-[4-[(3-methoxy-4-methylbenzoyl)amino]phenyl]cyclopropane-1-carboxylic acid (PubChem CID 154806151) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is trans-(1R,2R)-2-[4-[(3-methoxy-4-methylbenzoyl)amino]phenyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[4-[(3-methoxy-4-methylbenzoyl)amino]phenyl]cyclopropane-1-carboxylic acid
PubChem CID154806151
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Nametrans-(1R,2R)-2-[4-[(3-methoxy-4-methylbenzoyl)amino]phenyl]cyclopropane-1-carboxylic acid
SMILESCOc1cc(C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)O)cc2)ccc1C
InChIInChI=1S/C19H19NO4/c1-11-3-4-13(9-17(11)24-2)18(21)20-14-7-5-12(6-8-14)15-10-16(15)19(22)23/h3-9,15-16H,10H2,1-2H3,(H,20,21)(H,22,23)/t15-,16+/m0/s1
InChIKeyCNJFPMPMNCYMEU-JKSUJKDBSA-N
XLogP3.44
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-4-methyl-N-(4-methylphenyl)benzamide
CID 9071746
N-[4-(hydroxymethyl)phenyl]-3-methoxy-4-methylbenzamide
CID 64793166
3-methoxy-4-methyl-N-(4-propan-2-ylphenyl)benzamide
CID 26585658
2-[4-[(3-methoxy-4-methylbenzoyl)amino]phenyl]-2-methylpropanoic acid
CID 119253822
N-(3,5-dimethoxyphenyl)-3-methoxy-4-methylbenzamide
CID 16619720
trans-(1R,2R)-2-[4-[[3-(dimethylcarbamoyl)benzoyl]amino]phenyl]cyclopropane-1-carboxylic acid
CID 136584750
N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-3-methoxy-4-methylbenzamide
CID 35338148
cis-(1R,2S)-2-(3,4-dimethylphenyl)cyclopropane-1-carboxylic acid
CID 51888152
trans-(1R,2R)-2-[4-[(2,5-dimethyl-1H-pyrrole-3-carbonyl)amino]phenyl]cyclopropane-1-carboxylic acid
CID 154807935
N-(3-benzoylphenyl)-3-methoxy-4-methylbenzamide
CID 52843930
3,4-dimethoxy-N-(4-methoxy-3-methylphenyl)benzamide
CID 110776412
ethane;4-methoxy-3-methyl-N-(4-methylphenyl)benzamide
CID 54213440

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[4-[(3-methoxy-4-methylbenzoyl)amino]phenyl]cyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1R,2R)-2-[4-[(3-methoxy-4-methylbenzoyl)amino]phenyl]cyclopropane-1-carboxylic acid (CID 154806151) is trans-(1R,2R)-2-[4-[(3-methoxy-4-methylbenzoyl)amino]phenyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,2R)-2-[4-[(3-methoxy-4-methylbenzoyl)amino]phenyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1R,2R)-2-[4-[(3-methoxy-4-methylbenzoyl)amino]phenyl]cyclopropane-1-carboxylic acid is COc1cc(C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)O)cc2)ccc1C.
What is the InChIKey of trans-(1R,2R)-2-[4-[(3-methoxy-4-methylbenzoyl)amino]phenyl]cyclopropane-1-carboxylic acid?
The InChIKey is CNJFPMPMNCYMEU-JKSUJKDBSA-N. The full InChI is InChI=1S/C19H19NO4/c1-11-3-4-13(9-17(11)24-2)18(21)20-14-7-5-12(6-8-14)15-10-16(15)19(22)23/h3-9,15-16H,10H2,1-2H3,(H,20,21)(H,22,23)/t15-,16+/m0/s1.
What are the key properties of trans-(1R,2R)-2-[4-[(3-methoxy-4-methylbenzoyl)amino]phenyl]cyclopropane-1-carboxylic acid?
trans-(1R,2R)-2-[4-[(3-methoxy-4-methylbenzoyl)amino]phenyl]cyclopropane-1-carboxylic acid has a molecular weight of 325.36 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[4-[(3-methoxy-4-methylbenzoyl)amino]phenyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 154806151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).