1-[4-(3-amino-6-ethoxy-1-propan-2-ylindol-2-yl)phenyl]-3-ethylurea

C22H28N4O2 — CID 70844333

IUPAC1-[4-(3-amino-6-ethoxy-1-propan-2-ylindol-2-yl)phenyl]-3-ethylurea
SMILESCCNC(=O)Nc1ccc(-c2c(N)c3ccc(OCC)cc3n2C(C)C)cc1
InChIInChI=1S/C22H28N4O2/c1-5-24-22(27)25-16-9-7-15(8-10-16)21-20(23)18-12-11-17(28-6-2)13-19(18)26(21)14(3)4/h7-14H,5-6,23H2,1-4H3,(H2,24,25,27)
InChIKeyZUMPVRLCTJNFER-UHFFFAOYSA-N
MW380.49 g/mol
LogP5.01
Rot. Bonds6

About 1-[4-(3-amino-6-ethoxy-1-propan-2-ylindol-2-yl)phenyl]-3-ethylurea

1-[4-(3-amino-6-ethoxy-1-propan-2-ylindol-2-yl)phenyl]-3-ethylurea (PubChem CID 70844333) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 1-[4-(3-amino-6-ethoxy-1-propan-2-ylindol-2-yl)phenyl]-3-ethylurea.

Molecular Properties

Compound Name1-[4-(3-amino-6-ethoxy-1-propan-2-ylindol-2-yl)phenyl]-3-ethylurea
PubChem CID70844333
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name1-[4-(3-amino-6-ethoxy-1-propan-2-ylindol-2-yl)phenyl]-3-ethylurea
SMILESCCNC(=O)Nc1ccc(-c2c(N)c3ccc(OCC)cc3n2C(C)C)cc1
InChIInChI=1S/C22H28N4O2/c1-5-24-22(27)25-16-9-7-15(8-10-16)21-20(23)18-12-11-17(28-6-2)13-19(18)26(21)14(3)4/h7-14H,5-6,23H2,1-4H3,(H2,24,25,27)
InChIKeyZUMPVRLCTJNFER-UHFFFAOYSA-N
XLogP5.01
TPSA81.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.49
LogP ≤ 55.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(3-amino-6-ethoxy-1-propylindol-2-yl)phenyl]-3-propylurea
CID 70666782
propan-2-yl N-[4-(3-amino-6-ethoxy-1-methylindol-2-yl)phenyl]carbamate
CID 70858988
(1,1,1-trifluoro-2-methylpropan-2-yl) N-[4-[3-amino-6-(2-methoxyethoxy)-1-propan-2-ylindol-2-yl]phenyl]carbamate
CID 70826085
1-[4-(3-amino-1-cyclopentyl-6-ethoxyindol-2-yl)phenyl]-3-cyclopentylurea
CID 70844229
1-methoxypropan-2-yl N-[4-(3-amino-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate
CID 70844556
1-[4-(3-amino-6-methoxy-1-propylindol-2-yl)phenyl]-3-propan-2-ylurea
CID 70844204
2-methylpropyl N-[4-[3-amino-1-ethyl-6-(2-methoxyethoxy)indol-2-yl]phenyl]carbamate
CID 70844155
N-[4-(3-amino-6-ethoxy-1-hexan-3-ylindol-2-yl)phenyl]cyclopropanesulfonamide
CID 71176654
propan-2-yl N-[4-[3-amino-6-(2-amino-2-oxoethoxy)-1-(cyclopropylmethyl)indol-2-yl]phenyl]carbamate
CID 70825780
1-[4-(3-cyano-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]-3-(2-hydroxypropyl)urea
CID 59425380
propan-2-yl N-[4-[3-amino-6-(2-amino-2-oxoethoxy)-1-cyclobutylindol-2-yl]phenyl]carbamate
CID 70825527
1-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)-3-(4-ethoxyphenyl)urea
CID 108872137

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-amino-6-ethoxy-1-propan-2-ylindol-2-yl)phenyl]-3-ethylurea?
The IUPAC name of 1-[4-(3-amino-6-ethoxy-1-propan-2-ylindol-2-yl)phenyl]-3-ethylurea (CID 70844333) is 1-[4-(3-amino-6-ethoxy-1-propan-2-ylindol-2-yl)phenyl]-3-ethylurea.
What is the SMILES notation for 1-[4-(3-amino-6-ethoxy-1-propan-2-ylindol-2-yl)phenyl]-3-ethylurea?
The canonical SMILES for 1-[4-(3-amino-6-ethoxy-1-propan-2-ylindol-2-yl)phenyl]-3-ethylurea is CCNC(=O)Nc1ccc(-c2c(N)c3ccc(OCC)cc3n2C(C)C)cc1.
What is the InChIKey of 1-[4-(3-amino-6-ethoxy-1-propan-2-ylindol-2-yl)phenyl]-3-ethylurea?
The InChIKey is ZUMPVRLCTJNFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-5-24-22(27)25-16-9-7-15(8-10-16)21-20(23)18-12-11-17(28-6-2)13-19(18)26(21)14(3)4/h7-14H,5-6,23H2,1-4H3,(H2,24,25,27).
What are the key properties of 1-[4-(3-amino-6-ethoxy-1-propan-2-ylindol-2-yl)phenyl]-3-ethylurea?
1-[4-(3-amino-6-ethoxy-1-propan-2-ylindol-2-yl)phenyl]-3-ethylurea has a molecular weight of 380.49 g/mol, XLogP of 5.01, 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-6-ethoxy-1-propan-2-ylindol-2-yl)phenyl]-3-ethylurea is sourced from PubChem (CID 70844333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).