3-[3-[[4-(cyclopropylcarbamoyl)benzoyl]amino]phenyl]propanoic acid

C20H20N2O4 — CID 120538188

IUPAC3-[3-[[4-(cyclopropylcarbamoyl)benzoyl]amino]phenyl]propanoic acid
SMILESO=C(O)CCc1cccc(NC(=O)c2ccc(C(=O)NC3CC3)cc2)c1
InChIInChI=1S/C20H20N2O4/c23-18(24)11-4-13-2-1-3-17(12-13)22-20(26)15-7-5-14(6-8-15)19(25)21-16-9-10-16/h1-3,5-8,12,16H,4,9-11H2,(H,21,25)(H,22,26)(H,23,24)
InChIKeyRUEVLBSWYXXZLH-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.85
Rot. Bonds7

About 3-[3-[[4-(cyclopropylcarbamoyl)benzoyl]amino]phenyl]propanoic acid

3-[3-[[4-(cyclopropylcarbamoyl)benzoyl]amino]phenyl]propanoic acid (PubChem CID 120538188) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is 3-[3-[[4-(cyclopropylcarbamoyl)benzoyl]amino]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[3-[[4-(cyclopropylcarbamoyl)benzoyl]amino]phenyl]propanoic acid
PubChem CID120538188
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name3-[3-[[4-(cyclopropylcarbamoyl)benzoyl]amino]phenyl]propanoic acid
SMILESO=C(O)CCc1cccc(NC(=O)c2ccc(C(=O)NC3CC3)cc2)c1
InChIInChI=1S/C20H20N2O4/c23-18(24)11-4-13-2-1-3-17(12-13)22-20(26)15-7-5-14(6-8-15)19(25)21-16-9-10-16/h1-3,5-8,12,16H,4,9-11H2,(H,21,25)(H,22,26)(H,23,24)
InChIKeyRUEVLBSWYXXZLH-UHFFFAOYSA-N
XLogP2.85
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-[[4-(cyclopentylcarbamoyl)phenyl]carbamoylamino]phenyl]propanoic acid
CID 122076784
3-[3-(piperidin-4-ylcarbamoylamino)phenyl]propanoic acid
CID 115340762
1-N-cyclopropyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
CID 109043347
4-N-(3-bromophenyl)-1-N-cyclopropylbenzene-1,4-dicarboxamide
CID 109043419
3-[[4-(cyclopropanecarbonylamino)benzoyl]amino]-N-cyclopropylbenzamide
CID 26110757
3-[3-[(5-iodothiophene-3-carbonyl)amino]phenyl]propanoic acid
CID 115339180
1-N-cyclopropyl-4-N-[3-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
CID 109043396
4-N-(3-chlorophenyl)-1-N-cycloheptylbenzene-1,4-dicarboxamide
CID 109048558
3-[(4-tert-butylbenzoyl)amino]-N-cyclopropylbenzamide
CID 26110808
3-[3-(piperidine-4-carbonylamino)phenyl]propanoic acid
CID 115339856
N-[3-(2-phenylethyl)phenyl]-4-[4-[[3-(2-phenylethyl)phenyl]carbamoyl]phenyl]benzamide
CID 155202146
3-(cyclopropanecarbonylamino)-N-[3-(cyclopropylcarbamoyl)phenyl]benzamide
CID 30127139

Frequently Asked Questions

What is the IUPAC name of 3-[3-[[4-(cyclopropylcarbamoyl)benzoyl]amino]phenyl]propanoic acid?
The IUPAC name of 3-[3-[[4-(cyclopropylcarbamoyl)benzoyl]amino]phenyl]propanoic acid (CID 120538188) is 3-[3-[[4-(cyclopropylcarbamoyl)benzoyl]amino]phenyl]propanoic acid.
What is the SMILES notation for 3-[3-[[4-(cyclopropylcarbamoyl)benzoyl]amino]phenyl]propanoic acid?
The canonical SMILES for 3-[3-[[4-(cyclopropylcarbamoyl)benzoyl]amino]phenyl]propanoic acid is O=C(O)CCc1cccc(NC(=O)c2ccc(C(=O)NC3CC3)cc2)c1.
What is the InChIKey of 3-[3-[[4-(cyclopropylcarbamoyl)benzoyl]amino]phenyl]propanoic acid?
The InChIKey is RUEVLBSWYXXZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c23-18(24)11-4-13-2-1-3-17(12-13)22-20(26)15-7-5-14(6-8-15)19(25)21-16-9-10-16/h1-3,5-8,12,16H,4,9-11H2,(H,21,25)(H,22,26)(H,23,24).
What are the key properties of 3-[3-[[4-(cyclopropylcarbamoyl)benzoyl]amino]phenyl]propanoic acid?
3-[3-[[4-(cyclopropylcarbamoyl)benzoyl]amino]phenyl]propanoic acid has a molecular weight of 352.39 g/mol, XLogP of 2.85, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[4-(cyclopropylcarbamoyl)benzoyl]amino]phenyl]propanoic acid is sourced from PubChem (CID 120538188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).