1-[4-(3-amino-6-ethoxy-1-propylindol-2-yl)phenyl]-3-propylurea

C23H30N4O2 — CID 70666782

IUPAC1-[4-(3-amino-6-ethoxy-1-propylindol-2-yl)phenyl]-3-propylurea
SMILESCCCNC(=O)Nc1ccc(-c2c(N)c3ccc(OCC)cc3n2CCC)cc1
InChIInChI=1S/C23H30N4O2/c1-4-13-25-23(28)26-17-9-7-16(8-10-17)22-21(24)19-12-11-18(29-6-3)15-20(19)27(22)14-5-2/h7-12,15H,4-6,13-14,24H2,1-3H3,(H2,25,26,28)
InChIKeyFQRVSQLCSUNWMP-UHFFFAOYSA-N
MW394.52 g/mol
LogP5.23
Rot. Bonds8

About 1-[4-(3-amino-6-ethoxy-1-propylindol-2-yl)phenyl]-3-propylurea

1-[4-(3-amino-6-ethoxy-1-propylindol-2-yl)phenyl]-3-propylurea (PubChem CID 70666782) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 1-[4-(3-amino-6-ethoxy-1-propylindol-2-yl)phenyl]-3-propylurea.

Molecular Properties

Compound Name1-[4-(3-amino-6-ethoxy-1-propylindol-2-yl)phenyl]-3-propylurea
PubChem CID70666782
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name1-[4-(3-amino-6-ethoxy-1-propylindol-2-yl)phenyl]-3-propylurea
SMILESCCCNC(=O)Nc1ccc(-c2c(N)c3ccc(OCC)cc3n2CCC)cc1
InChIInChI=1S/C23H30N4O2/c1-4-13-25-23(28)26-17-9-7-16(8-10-17)22-21(24)19-12-11-18(29-6-3)15-20(19)27(22)14-5-2/h7-12,15H,4-6,13-14,24H2,1-3H3,(H2,25,26,28)
InChIKeyFQRVSQLCSUNWMP-UHFFFAOYSA-N
XLogP5.23
TPSA81.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.52
LogP ≤ 55.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(3-amino-6-methoxy-1-propylindol-2-yl)phenyl]-3-propan-2-ylurea
CID 70844204
1-[4-(3-amino-6-ethoxy-1-propan-2-ylindol-2-yl)phenyl]-3-ethylurea
CID 70844333
propan-2-yl N-[4-(3-amino-6-ethoxy-1-methylindol-2-yl)phenyl]carbamate
CID 70858988
2-methoxyethyl N-[4-[3-amino-6-(difluoromethoxy)-1-propylindol-2-yl]phenyl]carbamate
CID 70844442
1-butyl-3-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]urea
CID 58694419
ethyl N-[3-(3-amino-1-butyl-6-ethoxyindol-2-yl)phenyl]carbamate
CID 70805366
1-[4-(3-amino-1-ethyl-6-methoxyindol-2-yl)-2-methylphenyl]-3-propylurea
CID 70844328
1-[4-(3-amino-1-cyclopentyl-6-ethoxyindol-2-yl)phenyl]-3-cyclopentylurea
CID 70844229
1-butyl-3-[4-(3-cyano-6-methoxy-1-propylindol-2-yl)phenyl]urea;molecular hydrogen
CID 143184904
N-[4-(3-amino-6-methoxy-1-propylindol-2-yl)phenyl]propane-1-sulfonamide
CID 70844699
1-[3-(3-amino-1-ethyl-6-methoxyindol-2-yl)phenyl]-3-butylurea
CID 70844657
propan-2-yl N-[4-[3-amino-6-(2-amino-2-oxoethoxy)-1-(cyclopropylmethyl)indol-2-yl]phenyl]carbamate
CID 70825780

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-amino-6-ethoxy-1-propylindol-2-yl)phenyl]-3-propylurea?
The IUPAC name of 1-[4-(3-amino-6-ethoxy-1-propylindol-2-yl)phenyl]-3-propylurea (CID 70666782) is 1-[4-(3-amino-6-ethoxy-1-propylindol-2-yl)phenyl]-3-propylurea.
What is the SMILES notation for 1-[4-(3-amino-6-ethoxy-1-propylindol-2-yl)phenyl]-3-propylurea?
The canonical SMILES for 1-[4-(3-amino-6-ethoxy-1-propylindol-2-yl)phenyl]-3-propylurea is CCCNC(=O)Nc1ccc(-c2c(N)c3ccc(OCC)cc3n2CCC)cc1.
What is the InChIKey of 1-[4-(3-amino-6-ethoxy-1-propylindol-2-yl)phenyl]-3-propylurea?
The InChIKey is FQRVSQLCSUNWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-4-13-25-23(28)26-17-9-7-16(8-10-17)22-21(24)19-12-11-18(29-6-3)15-20(19)27(22)14-5-2/h7-12,15H,4-6,13-14,24H2,1-3H3,(H2,25,26,28).
What are the key properties of 1-[4-(3-amino-6-ethoxy-1-propylindol-2-yl)phenyl]-3-propylurea?
1-[4-(3-amino-6-ethoxy-1-propylindol-2-yl)phenyl]-3-propylurea has a molecular weight of 394.52 g/mol, XLogP of 5.23, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-amino-6-ethoxy-1-propylindol-2-yl)phenyl]-3-propylurea is sourced from PubChem (CID 70666782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).