methyl 3-[[4-(1H-indole-2-carbonylamino)benzoyl]amino]propanoate

C20H19N3O4 — CID 86917311

IUPACmethyl 3-[[4-(1H-indole-2-carbonylamino)benzoyl]amino]propanoate
SMILESCOC(=O)CCNC(=O)c1ccc(NC(=O)c2cc3ccccc3[nH]2)cc1
InChIInChI=1S/C20H19N3O4/c1-27-18(24)10-11-21-19(25)13-6-8-15(9-7-13)22-20(26)17-12-14-4-2-3-5-16(14)23-17/h2-9,12,23H,10-11H2,1H3,(H,21,25)(H,22,26)
InChIKeyCNSHZMPLLNYINM-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.71
Rot. Bonds6

About methyl 3-[[4-(1H-indole-2-carbonylamino)benzoyl]amino]propanoate

methyl 3-[[4-(1H-indole-2-carbonylamino)benzoyl]amino]propanoate (PubChem CID 86917311) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is methyl 3-[[4-(1H-indole-2-carbonylamino)benzoyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[4-(1H-indole-2-carbonylamino)benzoyl]amino]propanoate
PubChem CID86917311
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Namemethyl 3-[[4-(1H-indole-2-carbonylamino)benzoyl]amino]propanoate
SMILESCOC(=O)CCNC(=O)c1ccc(NC(=O)c2cc3ccccc3[nH]2)cc1
InChIInChI=1S/C20H19N3O4/c1-27-18(24)10-11-21-19(25)13-6-8-15(9-7-13)22-20(26)17-12-14-4-2-3-5-16(14)23-17/h2-9,12,23H,10-11H2,1H3,(H,21,25)(H,22,26)
InChIKeyCNSHZMPLLNYINM-UHFFFAOYSA-N
XLogP2.71
TPSA100.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 6-(1H-indole-2-carbonylamino)hexanoate
CID 43407298
N-[2-[(4-chlorobenzoyl)amino]ethyl]-1H-indole-2-carboxamide
CID 34999950
ethyl 2-[4-(1H-indole-2-carbonylamino)anilino]-2-oxoacetate
CID 127044923
N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]-1H-indole-2-carboxamide
CID 34509270
N-[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]-1H-indole-2-carboxamide
CID 90873510
methyl 3-[2-(1H-indole-2-carbonylamino)-1,3-thiazol-4-yl]propanoate
CID 75430006
benzyl N-[4-(1H-indole-2-carbonylamino)phenyl]carbamate
CID 15224337
N-(4-cyanophenyl)-1H-indole-2-carboxamide
CID 26699443
methyl 3-[[4-[(2-aminoacetyl)amino]benzoyl]amino]propanoate;hydrochloride
CID 119277484
N-[4-[4-(4-hydroxy-3,3-dimethylbutanoyl)phenyl]phenyl]-1H-indole-2-carboxamide
CID 143314346
N-[3-(2-methoxyethoxy)propyl]-1H-indole-2-carboxamide
CID 51979700
N-[4-(methylsulfamoyl)phenyl]-1H-indole-2-carboxamide
CID 9188386

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[4-(1H-indole-2-carbonylamino)benzoyl]amino]propanoate?
The IUPAC name of methyl 3-[[4-(1H-indole-2-carbonylamino)benzoyl]amino]propanoate (CID 86917311) is methyl 3-[[4-(1H-indole-2-carbonylamino)benzoyl]amino]propanoate.
What is the SMILES notation for methyl 3-[[4-(1H-indole-2-carbonylamino)benzoyl]amino]propanoate?
The canonical SMILES for methyl 3-[[4-(1H-indole-2-carbonylamino)benzoyl]amino]propanoate is COC(=O)CCNC(=O)c1ccc(NC(=O)c2cc3ccccc3[nH]2)cc1.
What is the InChIKey of methyl 3-[[4-(1H-indole-2-carbonylamino)benzoyl]amino]propanoate?
The InChIKey is CNSHZMPLLNYINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-27-18(24)10-11-21-19(25)13-6-8-15(9-7-13)22-20(26)17-12-14-4-2-3-5-16(14)23-17/h2-9,12,23H,10-11H2,1H3,(H,21,25)(H,22,26).
What are the key properties of methyl 3-[[4-(1H-indole-2-carbonylamino)benzoyl]amino]propanoate?
methyl 3-[[4-(1H-indole-2-carbonylamino)benzoyl]amino]propanoate has a molecular weight of 365.39 g/mol, XLogP of 2.71, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[4-(1H-indole-2-carbonylamino)benzoyl]amino]propanoate is sourced from PubChem (CID 86917311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).