2,4-dimethyl-5-[(Z)-(5-methyl-2-methylidene-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide;1,3-dimethyl-1-(2-oxoethyl)-3-propylurea

C26H35N5O3 — CID 142164165

IUPAC2,4-dimethyl-5-[(Z)-(5-methyl-2-methylidene-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide;1,3-dimethyl-1-(2-oxoethyl)-3-propylurea
SMILESC=c1[nH]c2ccc(C)cc2/c1=C/c1[nH]c(C)c(C(N)=O)c1C.CCCN(C)C(=O)N(C)CC=O
InChIInChI=1S/C18H19N3O.C8H16N2O2/c1-9-5-6-15-14(7-9)13(11(3)20-15)8-16-10(2)17(18(19)22)12(4)21-16;1-4-5-9(2)8(12)10(3)6-7-11/h5-8,20-21H,3H2,1-2,4H3,(H2,19,22);7H,4-6H2,1-3H3/b13-8+;
InChIKeyGOBJMDSUGKOKGW-FNXZNAJJSA-N
MW465.60 g/mol
LogP2.34
Rot. Bonds6

About 2,4-dimethyl-5-[(Z)-(5-methyl-2-methylidene-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide;1,3-dimethyl-1-(2-oxoethyl)-3-propylurea

2,4-dimethyl-5-[(Z)-(5-methyl-2-methylidene-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide;1,3-dimethyl-1-(2-oxoethyl)-3-propylurea (PubChem CID 142164165) has the molecular formula C26H35N5O3 and a molecular weight of 465.60 g/mol. Its IUPAC name is 2,4-dimethyl-5-[(Z)-(5-methyl-2-methylidene-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide;1,3-dimethyl-1-(2-oxoethyl)-3-propylurea.

Molecular Properties

Compound Name2,4-dimethyl-5-[(Z)-(5-methyl-2-methylidene-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide;1,3-dimethyl-1-(2-oxoethyl)-3-propylurea
PubChem CID142164165
Molecular FormulaC26H35N5O3
Molecular Weight465.60 g/mol
Exact Mass465.27
IUPAC Name2,4-dimethyl-5-[(Z)-(5-methyl-2-methylidene-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide;1,3-dimethyl-1-(2-oxoethyl)-3-propylurea
SMILESC=c1[nH]c2ccc(C)cc2/c1=C/c1[nH]c(C)c(C(N)=O)c1C.CCCN(C)C(=O)N(C)CC=O
InChIInChI=1S/C18H19N3O.C8H16N2O2/c1-9-5-6-15-14(7-9)13(11(3)20-15)8-16-10(2)17(18(19)22)12(4)21-16;1-4-5-9(2)8(12)10(3)6-7-11/h5-8,20-21H,3H2,1-2,4H3,(H2,19,22);7H,4-6H2,1-3H3/b13-8+;
InChIKeyGOBJMDSUGKOKGW-FNXZNAJJSA-N
XLogP2.34
TPSA115.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.60
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-[(Z)-(5-methyl-2-methylidene-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide;1,3-dimethyl-1-(2-oxoethyl)-3-propylurea?
The IUPAC name of 2,4-dimethyl-5-[(Z)-(5-methyl-2-methylidene-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide;1,3-dimethyl-1-(2-oxoethyl)-3-propylurea (CID 142164165) is 2,4-dimethyl-5-[(Z)-(5-methyl-2-methylidene-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide;1,3-dimethyl-1-(2-oxoethyl)-3-propylurea.
What is the SMILES notation for 2,4-dimethyl-5-[(Z)-(5-methyl-2-methylidene-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide;1,3-dimethyl-1-(2-oxoethyl)-3-propylurea?
The canonical SMILES for 2,4-dimethyl-5-[(Z)-(5-methyl-2-methylidene-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide;1,3-dimethyl-1-(2-oxoethyl)-3-propylurea is C=c1[nH]c2ccc(C)cc2/c1=C/c1[nH]c(C)c(C(N)=O)c1C.CCCN(C)C(=O)N(C)CC=O.
What is the InChIKey of 2,4-dimethyl-5-[(Z)-(5-methyl-2-methylidene-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide;1,3-dimethyl-1-(2-oxoethyl)-3-propylurea?
The InChIKey is GOBJMDSUGKOKGW-FNXZNAJJSA-N. The full InChI is InChI=1S/C18H19N3O.C8H16N2O2/c1-9-5-6-15-14(7-9)13(11(3)20-15)8-16-10(2)17(18(19)22)12(4)21-16;1-4-5-9(2)8(12)10(3)6-7-11/h5-8,20-21H,3H2,1-2,4H3,(H2,19,22);7H,4-6H2,1-3H3/b13-8+;.
What are the key properties of 2,4-dimethyl-5-[(Z)-(5-methyl-2-methylidene-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide;1,3-dimethyl-1-(2-oxoethyl)-3-propylurea?
2,4-dimethyl-5-[(Z)-(5-methyl-2-methylidene-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide;1,3-dimethyl-1-(2-oxoethyl)-3-propylurea has a molecular weight of 465.60 g/mol, XLogP of 2.34, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-[(Z)-(5-methyl-2-methylidene-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide;1,3-dimethyl-1-(2-oxoethyl)-3-propylurea is sourced from PubChem (CID 142164165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).