2-(carbamoylamino)-6-[3-(2-hydroxyethyl)phenyl]-1H-indole-3-carboxamide

C18H18N4O3 — CID 24988330

IUPAC2-(carbamoylamino)-6-[3-(2-hydroxyethyl)phenyl]-1H-indole-3-carboxamide
SMILESNC(=O)Nc1[nH]c2cc(-c3cccc(CCO)c3)ccc2c1C(N)=O
InChIInChI=1S/C18H18N4O3/c19-16(24)15-13-5-4-12(9-14(13)21-17(15)22-18(20)25)11-3-1-2-10(8-11)6-7-23/h1-5,8-9,21,23H,6-7H2,(H2,19,24)(H3,20,22,25)
InChIKeyCUJOMLNAJOLTOY-UHFFFAOYSA-N
MW338.37 g/mol
LogP1.96
Rot. Bonds5

About 2-(carbamoylamino)-6-[3-(2-hydroxyethyl)phenyl]-1H-indole-3-carboxamide

2-(carbamoylamino)-6-[3-(2-hydroxyethyl)phenyl]-1H-indole-3-carboxamide (PubChem CID 24988330) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is 2-(carbamoylamino)-6-[3-(2-hydroxyethyl)phenyl]-1H-indole-3-carboxamide.

Molecular Properties

Compound Name2-(carbamoylamino)-6-[3-(2-hydroxyethyl)phenyl]-1H-indole-3-carboxamide
PubChem CID24988330
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Name2-(carbamoylamino)-6-[3-(2-hydroxyethyl)phenyl]-1H-indole-3-carboxamide
SMILESNC(=O)Nc1[nH]c2cc(-c3cccc(CCO)c3)ccc2c1C(N)=O
InChIInChI=1S/C18H18N4O3/c19-16(24)15-13-5-4-12(9-14(13)21-17(15)22-18(20)25)11-3-1-2-10(8-11)6-7-23/h1-5,8-9,21,23H,6-7H2,(H2,19,24)(H3,20,22,25)
InChIKeyCUJOMLNAJOLTOY-UHFFFAOYSA-N
XLogP1.96
TPSA134.23 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.96
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-6-[3-(2-hydroxyethyl)phenyl]-1H-indole-3-carboxamide?
The IUPAC name of 2-(carbamoylamino)-6-[3-(2-hydroxyethyl)phenyl]-1H-indole-3-carboxamide (CID 24988330) is 2-(carbamoylamino)-6-[3-(2-hydroxyethyl)phenyl]-1H-indole-3-carboxamide.
What is the SMILES notation for 2-(carbamoylamino)-6-[3-(2-hydroxyethyl)phenyl]-1H-indole-3-carboxamide?
The canonical SMILES for 2-(carbamoylamino)-6-[3-(2-hydroxyethyl)phenyl]-1H-indole-3-carboxamide is NC(=O)Nc1[nH]c2cc(-c3cccc(CCO)c3)ccc2c1C(N)=O.
What is the InChIKey of 2-(carbamoylamino)-6-[3-(2-hydroxyethyl)phenyl]-1H-indole-3-carboxamide?
The InChIKey is CUJOMLNAJOLTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c19-16(24)15-13-5-4-12(9-14(13)21-17(15)22-18(20)25)11-3-1-2-10(8-11)6-7-23/h1-5,8-9,21,23H,6-7H2,(H2,19,24)(H3,20,22,25).
What are the key properties of 2-(carbamoylamino)-6-[3-(2-hydroxyethyl)phenyl]-1H-indole-3-carboxamide?
2-(carbamoylamino)-6-[3-(2-hydroxyethyl)phenyl]-1H-indole-3-carboxamide has a molecular weight of 338.37 g/mol, XLogP of 1.96, 5 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-6-[3-(2-hydroxyethyl)phenyl]-1H-indole-3-carboxamide is sourced from PubChem (CID 24988330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).