2-[4-[4-[1-[[4-(hydroxymethyl)phenyl]carbamoyl]-2,3-dihydroindol-5-yl]phenyl]cyclohexyl]acetic acid

C30H32N2O4 — CID 58064394

IUPAC2-[4-[4-[1-[[4-(hydroxymethyl)phenyl]carbamoyl]-2,3-dihydroindol-5-yl]phenyl]cyclohexyl]acetic acid
SMILESO=C(O)CC1CCC(c2ccc(-c3ccc4c(c3)CCN4C(=O)Nc3ccc(CO)cc3)cc2)CC1
InChIInChI=1S/C30H32N2O4/c33-19-21-3-12-27(13-4-21)31-30(36)32-16-15-26-18-25(11-14-28(26)32)24-9-7-23(8-10-24)22-5-1-20(2-6-22)17-29(34)35/h3-4,7-14,18,20,22,33H,1-2,5-6,15-17,19H2,(H,31,36)(H,34,35)
InChIKeyDYBDWKYUAPTQKJ-UHFFFAOYSA-N
MW484.60 g/mol
LogP6.19
Rot. Bonds6

About 2-[4-[4-[1-[[4-(hydroxymethyl)phenyl]carbamoyl]-2,3-dihydroindol-5-yl]phenyl]cyclohexyl]acetic acid

2-[4-[4-[1-[[4-(hydroxymethyl)phenyl]carbamoyl]-2,3-dihydroindol-5-yl]phenyl]cyclohexyl]acetic acid (PubChem CID 58064394) has the molecular formula C30H32N2O4 and a molecular weight of 484.60 g/mol. Its IUPAC name is 2-[4-[4-[1-[[4-(hydroxymethyl)phenyl]carbamoyl]-2,3-dihydroindol-5-yl]phenyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[4-[4-[1-[[4-(hydroxymethyl)phenyl]carbamoyl]-2,3-dihydroindol-5-yl]phenyl]cyclohexyl]acetic acid
PubChem CID58064394
Molecular FormulaC30H32N2O4
Molecular Weight484.60 g/mol
Exact Mass484.24
IUPAC Name2-[4-[4-[1-[[4-(hydroxymethyl)phenyl]carbamoyl]-2,3-dihydroindol-5-yl]phenyl]cyclohexyl]acetic acid
SMILESO=C(O)CC1CCC(c2ccc(-c3ccc4c(c3)CCN4C(=O)Nc3ccc(CO)cc3)cc2)CC1
InChIInChI=1S/C30H32N2O4/c33-19-21-3-12-27(13-4-21)31-30(36)32-16-15-26-18-25(11-14-28(26)32)24-9-7-23(8-10-24)22-5-1-20(2-6-22)17-29(34)35/h3-4,7-14,18,20,22,33H,1-2,5-6,15-17,19H2,(H,31,36)(H,34,35)
InChIKeyDYBDWKYUAPTQKJ-UHFFFAOYSA-N
XLogP6.19
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.60
LogP ≤ 56.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[4-[4-[1-[[4-(hydroxymethyl)phenyl]carbamoyl]-2,3-dihydroindol-5-yl]phenyl]cyclohexyl]acetic acid with MolForge

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Related Compounds

5-[4-(4-ethylcyclohexyl)phenyl]-N-phenyl-2,3-dihydroindole-1-carboxamide
CID 58064565
N-(3,5-difluorophenyl)-5-[4-(4-ethylcyclohexyl)phenyl]-2,3-dihydroindole-1-carboxamide
CID 58064602
2-[4-[4-[4-(phenylcarbamoyl)-2,3-dihydro-1,4-benzoxazin-7-yl]phenyl]cyclohexyl]acetic acid
CID 58064355
2-[4-[4-[4-[(4-aminophenyl)carbamoyl]-2,3-dihydro-1,4-benzoxazin-7-yl]phenyl]cyclohexyl]acetic acid
CID 58064434
2-[4-[4-[1-[2-(1,3-benzodioxol-5-yl)acetyl]-2,3-dihydroindol-5-yl]phenyl]cyclohexyl]acetic acid
CID 91350885
2-[4-[4-[1-(4,5-dimethyl-3,4-dihydropyridine-6-carbonyl)-2,3-dihydroindol-5-yl]phenyl]cyclohexyl]acetic acid
CID 91552794
5-(4-cyclohexylphenyl)-N-cyclopentyl-2,3-dihydroindole-1-carboxamide
CID 70854159
2-[4-[4-[4-(phenylcarbamoyl)-2-propyl-2,3-dihydro-1,4-benzoxazin-7-yl]phenyl]cyclohexyl]acetic acid
CID 58064510
2-[4-[4-[1-(phenylcarbamoyl)-2,3-dihydropyrido[2,3-b][1,4]oxazin-6-yl]phenyl]cyclohexyl]acetic acid
CID 58064474
2-[4-[4-[1-(heptan-2-ylcarbamoyl)-4-oxo-2,3-dihydroquinolin-6-yl]phenyl]cyclohexyl]acetic acid
CID 91081221
N-[4-(4-methylcyclohexyl)phenyl]-2,3-dihydroindole-1-carboxamide
CID 143736687
N-[4-(hydroxymethyl)phenyl]-2-(4-phenylcyclohexyl)acetamide
CID 121325134

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[1-[[4-(hydroxymethyl)phenyl]carbamoyl]-2,3-dihydroindol-5-yl]phenyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[4-[4-[1-[[4-(hydroxymethyl)phenyl]carbamoyl]-2,3-dihydroindol-5-yl]phenyl]cyclohexyl]acetic acid (CID 58064394) is 2-[4-[4-[1-[[4-(hydroxymethyl)phenyl]carbamoyl]-2,3-dihydroindol-5-yl]phenyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[4-[4-[1-[[4-(hydroxymethyl)phenyl]carbamoyl]-2,3-dihydroindol-5-yl]phenyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[4-[4-[1-[[4-(hydroxymethyl)phenyl]carbamoyl]-2,3-dihydroindol-5-yl]phenyl]cyclohexyl]acetic acid is O=C(O)CC1CCC(c2ccc(-c3ccc4c(c3)CCN4C(=O)Nc3ccc(CO)cc3)cc2)CC1.
What is the InChIKey of 2-[4-[4-[1-[[4-(hydroxymethyl)phenyl]carbamoyl]-2,3-dihydroindol-5-yl]phenyl]cyclohexyl]acetic acid?
The InChIKey is DYBDWKYUAPTQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2O4/c33-19-21-3-12-27(13-4-21)31-30(36)32-16-15-26-18-25(11-14-28(26)32)24-9-7-23(8-10-24)22-5-1-20(2-6-22)17-29(34)35/h3-4,7-14,18,20,22,33H,1-2,5-6,15-17,19H2,(H,31,36)(H,34,35).
What are the key properties of 2-[4-[4-[1-[[4-(hydroxymethyl)phenyl]carbamoyl]-2,3-dihydroindol-5-yl]phenyl]cyclohexyl]acetic acid?
2-[4-[4-[1-[[4-(hydroxymethyl)phenyl]carbamoyl]-2,3-dihydroindol-5-yl]phenyl]cyclohexyl]acetic acid has a molecular weight of 484.60 g/mol, XLogP of 6.19, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[1-[[4-(hydroxymethyl)phenyl]carbamoyl]-2,3-dihydroindol-5-yl]phenyl]cyclohexyl]acetic acid is sourced from PubChem (CID 58064394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).