N-[4-[[4-(cyclopropanecarbonylamino)-3-hydroxyphenyl]methyl]-2-hydroxyphenyl]cyclopropanecarboxamide

C21H22N2O4 — CID 1293415

IUPACN-[4-[[4-(cyclopropanecarbonylamino)-3-hydroxyphenyl]methyl]-2-hydroxyphenyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(Cc2ccc(NC(=O)C3CC3)c(O)c2)cc1O)C1CC1
InChIInChI=1S/C21H22N2O4/c24-18-10-12(1-7-16(18)22-20(26)14-3-4-14)9-13-2-8-17(19(25)11-13)23-21(27)15-5-6-15/h1-2,7-8,10-11,14-15,24-25H,3-6,9H2,(H,22,26)(H,23,27)
InChIKeyOSYZDKKVEQETMT-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.39
Rot. Bonds6

About N-[4-[[4-(cyclopropanecarbonylamino)-3-hydroxyphenyl]methyl]-2-hydroxyphenyl]cyclopropanecarboxamide

N-[4-[[4-(cyclopropanecarbonylamino)-3-hydroxyphenyl]methyl]-2-hydroxyphenyl]cyclopropanecarboxamide (PubChem CID 1293415) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-[4-[[4-(cyclopropanecarbonylamino)-3-hydroxyphenyl]methyl]-2-hydroxyphenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[[4-(cyclopropanecarbonylamino)-3-hydroxyphenyl]methyl]-2-hydroxyphenyl]cyclopropanecarboxamide
PubChem CID1293415
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC NameN-[4-[[4-(cyclopropanecarbonylamino)-3-hydroxyphenyl]methyl]-2-hydroxyphenyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(Cc2ccc(NC(=O)C3CC3)c(O)c2)cc1O)C1CC1
InChIInChI=1S/C21H22N2O4/c24-18-10-12(1-7-16(18)22-20(26)14-3-4-14)9-13-2-8-17(19(25)11-13)23-21(27)15-5-6-15/h1-2,7-8,10-11,14-15,24-25H,3-6,9H2,(H,22,26)(H,23,27)
InChIKeyOSYZDKKVEQETMT-UHFFFAOYSA-N
XLogP3.39
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(4-amino-2-hydroxyphenyl)cyclohexanecarboxamide
CID 53338609
N-[4-[[4-[(2,2-diphenylacetyl)amino]-3-hydroxyphenyl]methyl]-2-hydroxyphenyl]-2,2-diphenylacetamide
CID 2832543
N-(2-hydroxy-4-methoxyphenyl)cyclopentanecarboxamide
CID 146453828
N-(2-hydroxy-4-nitrophenyl)cyclooctanecarboxamide
CID 107745413
N-(2,4-dimethylphenyl)cyclopropanecarboxamide
CID 5066654
1-N,4-N-bis(2,4-difluorophenyl)cyclohexane-1,4-dicarboxamide
CID 26722049
N-(2-ethyl-4-iodophenyl)cyclopropanecarboxamide
CID 171064344
N-[[2-chloro-4-[[3-chloro-4-(cyclopentanecarbonylcarbamothioylamino)phenyl]methyl]phenyl]carbamothioyl]cyclopentanecarboxamide
CID 5220233
N-(5-ethyl-2-methoxyphenyl)cyclopropanecarboxamide
CID 110777232
N-(2-bromo-4-sulfamoylphenyl)cyclopropanecarboxamide
CID 43134105
N-(2-hydroxyphenyl)-4-methylidenecyclohexane-1-carboxamide
CID 90904766
N-[4-(2-aminoethyl)-2-ethoxyphenyl]cyclopropanecarboxamide
CID 82259679

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(cyclopropanecarbonylamino)-3-hydroxyphenyl]methyl]-2-hydroxyphenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[[4-(cyclopropanecarbonylamino)-3-hydroxyphenyl]methyl]-2-hydroxyphenyl]cyclopropanecarboxamide (CID 1293415) is N-[4-[[4-(cyclopropanecarbonylamino)-3-hydroxyphenyl]methyl]-2-hydroxyphenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[[4-(cyclopropanecarbonylamino)-3-hydroxyphenyl]methyl]-2-hydroxyphenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[[4-(cyclopropanecarbonylamino)-3-hydroxyphenyl]methyl]-2-hydroxyphenyl]cyclopropanecarboxamide is O=C(Nc1ccc(Cc2ccc(NC(=O)C3CC3)c(O)c2)cc1O)C1CC1.
What is the InChIKey of N-[4-[[4-(cyclopropanecarbonylamino)-3-hydroxyphenyl]methyl]-2-hydroxyphenyl]cyclopropanecarboxamide?
The InChIKey is OSYZDKKVEQETMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c24-18-10-12(1-7-16(18)22-20(26)14-3-4-14)9-13-2-8-17(19(25)11-13)23-21(27)15-5-6-15/h1-2,7-8,10-11,14-15,24-25H,3-6,9H2,(H,22,26)(H,23,27).
What are the key properties of N-[4-[[4-(cyclopropanecarbonylamino)-3-hydroxyphenyl]methyl]-2-hydroxyphenyl]cyclopropanecarboxamide?
N-[4-[[4-(cyclopropanecarbonylamino)-3-hydroxyphenyl]methyl]-2-hydroxyphenyl]cyclopropanecarboxamide has a molecular weight of 366.42 g/mol, XLogP of 3.39, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(cyclopropanecarbonylamino)-3-hydroxyphenyl]methyl]-2-hydroxyphenyl]cyclopropanecarboxamide is sourced from PubChem (CID 1293415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).