methyl 4-[[2-[(4-tert-butylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate

C23H26N2O4 — CID 109142627

IUPACmethyl 4-[[2-[(4-tert-butylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)C2CC2C(=O)Nc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C23H26N2O4/c1-23(2,3)15-7-11-17(12-8-15)25-21(27)19-13-18(19)20(26)24-16-9-5-14(6-10-16)22(28)29-4/h5-12,18-19H,13H2,1-4H3,(H,24,26)(H,25,27)
InChIKeyJVWSZRLLUWOZSZ-UHFFFAOYSA-N
MW394.47 g/mol
LogP3.98
Rot. Bonds5

About methyl 4-[[2-[(4-tert-butylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate

methyl 4-[[2-[(4-tert-butylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate (PubChem CID 109142627) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is methyl 4-[[2-[(4-tert-butylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-[(4-tert-butylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
PubChem CID109142627
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Namemethyl 4-[[2-[(4-tert-butylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)C2CC2C(=O)Nc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C23H26N2O4/c1-23(2,3)15-7-11-17(12-8-15)25-21(27)19-13-18(19)20(26)24-16-9-5-14(6-10-16)22(28)29-4/h5-12,18-19H,13H2,1-4H3,(H,24,26)(H,25,27)
InChIKeyJVWSZRLLUWOZSZ-UHFFFAOYSA-N
XLogP3.98
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 4-[[2-[(4-tert-butylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate with MolForge

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Related Compounds

methyl 4-[[2-[(2-tert-butylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109142583
methyl 4-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzoate
CID 7741315
methyl 4-[[2-[(4-ethoxyphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109143528
methyl 2-[[2-[(4-methoxycarbonylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109143863
methyl 4-[[2-[(2,4-difluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109143902
6-[(4-methoxycarbonylphenyl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 6465538
methyl 4-[[2-(4-tert-butylanilino)-2-oxoethyl]amino]benzoate
CID 9082993
methyl 4-[[2-[(4-fluorophenyl)methylcarbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109136126
(1R,6S)-6-[(4-methoxycarbonylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 869307
methyl 4-[[6-[(4-hydroxyphenyl)carbamoyl]cyclohex-3-ene-1-carbonyl]amino]benzoate
CID 18873799
2-N-(4-tert-butylphenyl)-1-N-(2-chlorophenyl)cyclopropane-1,2-dicarboxamide
CID 109142602
methyl 4-[[1-(4-tert-butylphenyl)sulfonylpiperidine-4-carbonyl]amino]benzoate
CID 26583106

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-[(4-tert-butylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate?
The IUPAC name of methyl 4-[[2-[(4-tert-butylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate (CID 109142627) is methyl 4-[[2-[(4-tert-butylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[2-[(4-tert-butylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate?
The canonical SMILES for methyl 4-[[2-[(4-tert-butylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate is COC(=O)c1ccc(NC(=O)C2CC2C(=O)Nc2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of methyl 4-[[2-[(4-tert-butylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate?
The InChIKey is JVWSZRLLUWOZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-23(2,3)15-7-11-17(12-8-15)25-21(27)19-13-18(19)20(26)24-16-9-5-14(6-10-16)22(28)29-4/h5-12,18-19H,13H2,1-4H3,(H,24,26)(H,25,27).
What are the key properties of methyl 4-[[2-[(4-tert-butylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate?
methyl 4-[[2-[(4-tert-butylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate has a molecular weight of 394.47 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-[(4-tert-butylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate is sourced from PubChem (CID 109142627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).