N-(diaminomethylidene)-1-(2-phenylethyl)indole-2-carboxamide

C18H18N4O — CID 10267157

IUPACN-(diaminomethylidene)-1-(2-phenylethyl)indole-2-carboxamide
SMILESNC(N)=NC(=O)c1cc2ccccc2n1CCc1ccccc1
InChIInChI=1S/C18H18N4O/c19-18(20)21-17(23)16-12-14-8-4-5-9-15(14)22(16)11-10-13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H4,19,20,21,23)
InChIKeyMTOVKDLRWGZTLL-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.30
Rot. Bonds4

About N-(diaminomethylidene)-1-(2-phenylethyl)indole-2-carboxamide

N-(diaminomethylidene)-1-(2-phenylethyl)indole-2-carboxamide (PubChem CID 10267157) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is N-(diaminomethylidene)-1-(2-phenylethyl)indole-2-carboxamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-1-(2-phenylethyl)indole-2-carboxamide
PubChem CID10267157
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC NameN-(diaminomethylidene)-1-(2-phenylethyl)indole-2-carboxamide
SMILESNC(N)=NC(=O)c1cc2ccccc2n1CCc1ccccc1
InChIInChI=1S/C18H18N4O/c19-18(20)21-17(23)16-12-14-8-4-5-9-15(14)22(16)11-10-13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H4,19,20,21,23)
InChIKeyMTOVKDLRWGZTLL-UHFFFAOYSA-N
XLogP2.30
TPSA86.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-(diaminomethylidene)-1-[2-(dimethylamino)ethyl]indole-2-carboxamide
CID 15290301
N-(diaminomethylidene)-1-(naphthalen-2-ylmethyl)indole-2-carboxamide
CID 10712336
N-(diaminomethylidene)-1-[(4-methoxyphenyl)methyl]indole-2-carboxamide
CID 10829677
1-benzyl-5-chloro-N-(diaminomethylidene)indole-2-carboxamide;hydrochloride
CID 22097790
5-nitro-1-(2-phenylethyl)indole-2-carboxylic acid
CID 164627611
ethyl 1-[2-(3-methoxyphenyl)ethyl]indole-2-carboxylate
CID 68856722
1-(3-chloropropyl)indole-2-carboxylic acid
CID 23510279
1-(3-fluoropropyl)indole-2-carboxylic acid
CID 81113982
CID 174091752
CID 174091752
1-[(3-chlorophenyl)methyl]indole-2-carboxylic acid
CID 22310877
ethyl 1-(2-phenylethyl)-5-sulfamoylindole-2-carboxylate
CID 164612993
1-[2-(4-iodophenyl)ethyl]-2-oxoquinoline-3-carboxylic acid
CID 142731743

Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-1-(2-phenylethyl)indole-2-carboxamide?
The IUPAC name of N-(diaminomethylidene)-1-(2-phenylethyl)indole-2-carboxamide (CID 10267157) is N-(diaminomethylidene)-1-(2-phenylethyl)indole-2-carboxamide.
What is the SMILES notation for N-(diaminomethylidene)-1-(2-phenylethyl)indole-2-carboxamide?
The canonical SMILES for N-(diaminomethylidene)-1-(2-phenylethyl)indole-2-carboxamide is NC(N)=NC(=O)c1cc2ccccc2n1CCc1ccccc1.
What is the InChIKey of N-(diaminomethylidene)-1-(2-phenylethyl)indole-2-carboxamide?
The InChIKey is MTOVKDLRWGZTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c19-18(20)21-17(23)16-12-14-8-4-5-9-15(14)22(16)11-10-13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H4,19,20,21,23).
What are the key properties of N-(diaminomethylidene)-1-(2-phenylethyl)indole-2-carboxamide?
N-(diaminomethylidene)-1-(2-phenylethyl)indole-2-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-1-(2-phenylethyl)indole-2-carboxamide is sourced from PubChem (CID 10267157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).