1-[4-(3-amino-1-cyclopentyl-6-ethoxyindol-2-yl)phenyl]-3-cyclopentylurea

C27H34N4O2 — CID 70844229

IUPAC1-[4-(3-amino-1-cyclopentyl-6-ethoxyindol-2-yl)phenyl]-3-cyclopentylurea
SMILESCCOc1ccc2c(N)c(-c3ccc(NC(=O)NC4CCCC4)cc3)n(C3CCCC3)c2c1
InChIInChI=1S/C27H34N4O2/c1-2-33-22-15-16-23-24(17-22)31(21-9-5-6-10-21)26(25(23)28)18-11-13-20(14-12-18)30-27(32)29-19-7-3-4-8-19/h11-17,19,21H,2-10,28H2,1H3,(H2,29,30,32)
InChIKeyFUGIETLIBXTCGK-UHFFFAOYSA-N
MW446.60 g/mol
LogP6.47
Rot. Bonds6

About 1-[4-(3-amino-1-cyclopentyl-6-ethoxyindol-2-yl)phenyl]-3-cyclopentylurea

1-[4-(3-amino-1-cyclopentyl-6-ethoxyindol-2-yl)phenyl]-3-cyclopentylurea (PubChem CID 70844229) has the molecular formula C27H34N4O2 and a molecular weight of 446.60 g/mol. Its IUPAC name is 1-[4-(3-amino-1-cyclopentyl-6-ethoxyindol-2-yl)phenyl]-3-cyclopentylurea.

Molecular Properties

Compound Name1-[4-(3-amino-1-cyclopentyl-6-ethoxyindol-2-yl)phenyl]-3-cyclopentylurea
PubChem CID70844229
Molecular FormulaC27H34N4O2
Molecular Weight446.60 g/mol
Exact Mass446.27
IUPAC Name1-[4-(3-amino-1-cyclopentyl-6-ethoxyindol-2-yl)phenyl]-3-cyclopentylurea
SMILESCCOc1ccc2c(N)c(-c3ccc(NC(=O)NC4CCCC4)cc3)n(C3CCCC3)c2c1
InChIInChI=1S/C27H34N4O2/c1-2-33-22-15-16-23-24(17-22)31(21-9-5-6-10-21)26(25(23)28)18-11-13-20(14-12-18)30-27(32)29-19-7-3-4-8-19/h11-17,19,21H,2-10,28H2,1H3,(H2,29,30,32)
InChIKeyFUGIETLIBXTCGK-UHFFFAOYSA-N
XLogP6.47
TPSA81.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.60
LogP ≤ 56.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclobutyl-3-[4-(1-cyclobutyl-6-ethoxy-3-iodoindol-2-yl)phenyl]urea
CID 59425780
1-[4-[3-amino-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]-3-cyclobutylurea
CID 71177339
1-[4-[3-amino-1-cyclobutyl-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]indol-2-yl]phenyl]-3-cyclobutylurea
CID 70859284
1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(ethoxyiminomethyl)indol-2-yl]phenyl]urea
CID 59425082
ethanimidoyl 1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-6-ethoxyindole-3-carboximidate
CID 91436088
1-methoxypropan-2-yl N-[4-(3-amino-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate
CID 70844556
1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(4-methyl-4,5-dihydro-1H-pyrazol-3-yl)indol-2-yl]phenyl]urea
CID 70844101
oxolan-3-yl N-[4-(3-amino-1-cyclobutyl-6-ethoxyindol-2-yl)phenyl]carbamate
CID 70805428
1-cyclobutyl-3-[4-[1-cyclobutyl-6-ethoxy-3-(4-methyl-1H-pyrazol-5-yl)indol-2-yl]phenyl]urea
CID 59426317
1-cyclobutyl-3-[4-[1-cyclobutyl-3-(4,5-dimethyl-1,3-oxazol-2-yl)-6-ethoxyindol-2-yl]phenyl]urea
CID 59430547
cyclopentyl N-[4-(3-amino-1-cyclobutyl-5-ethoxyindol-2-yl)phenyl]carbamate
CID 70805302
1-[4-(3-cyano-1-cyclopropyl-6-ethoxyindol-2-yl)phenyl]-3-(oxan-4-yl)urea
CID 59426368

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-amino-1-cyclopentyl-6-ethoxyindol-2-yl)phenyl]-3-cyclopentylurea?
The IUPAC name of 1-[4-(3-amino-1-cyclopentyl-6-ethoxyindol-2-yl)phenyl]-3-cyclopentylurea (CID 70844229) is 1-[4-(3-amino-1-cyclopentyl-6-ethoxyindol-2-yl)phenyl]-3-cyclopentylurea.
What is the SMILES notation for 1-[4-(3-amino-1-cyclopentyl-6-ethoxyindol-2-yl)phenyl]-3-cyclopentylurea?
The canonical SMILES for 1-[4-(3-amino-1-cyclopentyl-6-ethoxyindol-2-yl)phenyl]-3-cyclopentylurea is CCOc1ccc2c(N)c(-c3ccc(NC(=O)NC4CCCC4)cc3)n(C3CCCC3)c2c1.
What is the InChIKey of 1-[4-(3-amino-1-cyclopentyl-6-ethoxyindol-2-yl)phenyl]-3-cyclopentylurea?
The InChIKey is FUGIETLIBXTCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O2/c1-2-33-22-15-16-23-24(17-22)31(21-9-5-6-10-21)26(25(23)28)18-11-13-20(14-12-18)30-27(32)29-19-7-3-4-8-19/h11-17,19,21H,2-10,28H2,1H3,(H2,29,30,32).
What are the key properties of 1-[4-(3-amino-1-cyclopentyl-6-ethoxyindol-2-yl)phenyl]-3-cyclopentylurea?
1-[4-(3-amino-1-cyclopentyl-6-ethoxyindol-2-yl)phenyl]-3-cyclopentylurea has a molecular weight of 446.60 g/mol, XLogP of 6.47, 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-cyclopentyl-6-ethoxyindol-2-yl)phenyl]-3-cyclopentylurea is sourced from PubChem (CID 70844229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).