1-[4-(3-amino-1-ethyl-6-methoxyindol-2-yl)-2-methylphenyl]-3-propylurea

C22H28N4O2 — CID 70844328

IUPAC1-[4-(3-amino-1-ethyl-6-methoxyindol-2-yl)-2-methylphenyl]-3-propylurea
SMILESCCCNC(=O)Nc1ccc(-c2c(N)c3ccc(OC)cc3n2CC)cc1C
InChIInChI=1S/C22H28N4O2/c1-5-11-24-22(27)25-18-10-7-15(12-14(18)3)21-20(23)17-9-8-16(28-4)13-19(17)26(21)6-2/h7-10,12-13H,5-6,11,23H2,1-4H3,(H2,24,25,27)
InChIKeyBQDIQNXCPFPDTH-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.76
Rot. Bonds6

About 1-[4-(3-amino-1-ethyl-6-methoxyindol-2-yl)-2-methylphenyl]-3-propylurea

1-[4-(3-amino-1-ethyl-6-methoxyindol-2-yl)-2-methylphenyl]-3-propylurea (PubChem CID 70844328) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 1-[4-(3-amino-1-ethyl-6-methoxyindol-2-yl)-2-methylphenyl]-3-propylurea.

Molecular Properties

Compound Name1-[4-(3-amino-1-ethyl-6-methoxyindol-2-yl)-2-methylphenyl]-3-propylurea
PubChem CID70844328
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name1-[4-(3-amino-1-ethyl-6-methoxyindol-2-yl)-2-methylphenyl]-3-propylurea
SMILESCCCNC(=O)Nc1ccc(-c2c(N)c3ccc(OC)cc3n2CC)cc1C
InChIInChI=1S/C22H28N4O2/c1-5-11-24-22(27)25-18-10-7-15(12-14(18)3)21-20(23)17-9-8-16(28-4)13-19(17)26(21)6-2/h7-10,12-13H,5-6,11,23H2,1-4H3,(H2,24,25,27)
InChIKeyBQDIQNXCPFPDTH-UHFFFAOYSA-N
XLogP4.76
TPSA81.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(3-amino-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-butylurea
CID 70844657
1-butyl-3-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]urea
CID 25049866
propyl N-[3-(3-amino-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
CID 70844655
1-[4-(3-amino-6-ethoxy-1-propylindol-2-yl)phenyl]-3-propylurea
CID 70666782
1-(2-amino-4-methoxyphenyl)-3-propylurea
CID 28785607
ethyl N-[5-(3-amino-1-ethyl-6-propan-2-yloxyindol-2-yl)-2-methoxyphenyl]carbamate
CID 70844884
N-[4-(3-amino-1-ethyl-6-methoxyindol-2-yl)phenyl]propane-1-sulfonamide
CID 70844494
phenyl N-[3-(3-amino-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
CID 89024512
prop-2-enyl N-[3-(3-amino-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
CID 89024519
1-[4-(3-amino-6-methoxy-1-propylindol-2-yl)phenyl]-3-propan-2-ylurea
CID 70844204
2-(1-benzofuran-5-yl)-1-ethyl-6-methoxyindol-3-amine
CID 70844181
N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-methylphenyl]cyclopropanesulfonamide;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-methylphenyl]-3-ethylurea;N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-methylphenyl]propane-1-sulfonamide;ethyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-methylphenyl]carbamate;methyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-methylphenyl]carbamate;propyl N-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-methylphenyl]carbamate
CID 159093726

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-amino-1-ethyl-6-methoxyindol-2-yl)-2-methylphenyl]-3-propylurea?
The IUPAC name of 1-[4-(3-amino-1-ethyl-6-methoxyindol-2-yl)-2-methylphenyl]-3-propylurea (CID 70844328) is 1-[4-(3-amino-1-ethyl-6-methoxyindol-2-yl)-2-methylphenyl]-3-propylurea.
What is the SMILES notation for 1-[4-(3-amino-1-ethyl-6-methoxyindol-2-yl)-2-methylphenyl]-3-propylurea?
The canonical SMILES for 1-[4-(3-amino-1-ethyl-6-methoxyindol-2-yl)-2-methylphenyl]-3-propylurea is CCCNC(=O)Nc1ccc(-c2c(N)c3ccc(OC)cc3n2CC)cc1C.
What is the InChIKey of 1-[4-(3-amino-1-ethyl-6-methoxyindol-2-yl)-2-methylphenyl]-3-propylurea?
The InChIKey is BQDIQNXCPFPDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-5-11-24-22(27)25-18-10-7-15(12-14(18)3)21-20(23)17-9-8-16(28-4)13-19(17)26(21)6-2/h7-10,12-13H,5-6,11,23H2,1-4H3,(H2,24,25,27).
What are the key properties of 1-[4-(3-amino-1-ethyl-6-methoxyindol-2-yl)-2-methylphenyl]-3-propylurea?
1-[4-(3-amino-1-ethyl-6-methoxyindol-2-yl)-2-methylphenyl]-3-propylurea has a molecular weight of 380.49 g/mol, XLogP of 4.76, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-amino-1-ethyl-6-methoxyindol-2-yl)-2-methylphenyl]-3-propylurea is sourced from PubChem (CID 70844328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).