(2S)-1-acetyl-N-[(3-cyclohexyloxyphenyl)methyl]-2,3-dihydroindole-2-carboxamide

C24H28N2O3 — CID 86941910

IUPAC(2S)-1-acetyl-N-[(3-cyclohexyloxyphenyl)methyl]-2,3-dihydroindole-2-carboxamide
SMILESCC(=O)N1c2ccccc2C[C@H]1C(=O)NCc1cccc(OC2CCCCC2)c1
InChIInChI=1S/C24H28N2O3/c1-17(27)26-22-13-6-5-9-19(22)15-23(26)24(28)25-16-18-8-7-12-21(14-18)29-20-10-3-2-4-11-20/h5-9,12-14,20,23H,2-4,10-11,15-16H2,1H3,(H,25,28)/t23-/m0/s1
InChIKeyDLPWFHNFKXTYOE-QHCPKHFHSA-N
MW392.50 g/mol
LogP3.99
Rot. Bonds5

About (2S)-1-acetyl-N-[(3-cyclohexyloxyphenyl)methyl]-2,3-dihydroindole-2-carboxamide

(2S)-1-acetyl-N-[(3-cyclohexyloxyphenyl)methyl]-2,3-dihydroindole-2-carboxamide (PubChem CID 86941910) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is (2S)-1-acetyl-N-[(3-cyclohexyloxyphenyl)methyl]-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-acetyl-N-[(3-cyclohexyloxyphenyl)methyl]-2,3-dihydroindole-2-carboxamide
PubChem CID86941910
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Name(2S)-1-acetyl-N-[(3-cyclohexyloxyphenyl)methyl]-2,3-dihydroindole-2-carboxamide
SMILESCC(=O)N1c2ccccc2C[C@H]1C(=O)NCc1cccc(OC2CCCCC2)c1
InChIInChI=1S/C24H28N2O3/c1-17(27)26-22-13-6-5-9-19(22)15-23(26)24(28)25-16-18-8-7-12-21(14-18)29-20-10-3-2-4-11-20/h5-9,12-14,20,23H,2-4,10-11,15-16H2,1H3,(H,25,28)/t23-/m0/s1
InChIKeyDLPWFHNFKXTYOE-QHCPKHFHSA-N
XLogP3.99
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-cyclohexyloxyphenyl)methyl]cyclopentanecarboxamide
CID 86941906
(2S)-1-acetyl-N-[(4-ethylphenyl)methyl]-2,3-dihydroindole-2-carboxamide
CID 92710280
1-acetyl-2,3-dihydroindole-2-carboxylic acid
CID 10058771
N-[(3-cyclohexyloxyphenyl)methyl]-4-ethylpiperazine-1-carboxamide
CID 86943869
(2S)-1-acetyl-N-[(2,5-dimethylpyrazol-3-yl)methyl]-2,3-dihydroindole-2-carboxamide
CID 138995578
(2R)-1-acetyl-N-methyl-2,3-dihydroindole-2-carboxamide
CID 40805370
(2S)-1-acetyl-N-[(2-pyrrolidin-1-yl-3-pyridinyl)methyl]-2,3-dihydroindole-2-carboxamide
CID 155952931
(2S)-1-[[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-[(3-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 99733833
1-acetyl-N-[2-(dimethylamino)ethyl]-2,3-dihydroindole-2-carboxamide
CID 53299064
1-[(3-cyclohexyloxyphenyl)methyl]-3-(2-hydroxycyclohexyl)urea
CID 86943887
N-[(3-cyclohexyloxyphenyl)methyl]-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetamide
CID 86941957
1-benzoyl-N-[(4-ethylphenyl)methyl]-2,3-dihydroindole-2-carboxamide
CID 20954736

Frequently Asked Questions

What is the IUPAC name of (2S)-1-acetyl-N-[(3-cyclohexyloxyphenyl)methyl]-2,3-dihydroindole-2-carboxamide?
The IUPAC name of (2S)-1-acetyl-N-[(3-cyclohexyloxyphenyl)methyl]-2,3-dihydroindole-2-carboxamide (CID 86941910) is (2S)-1-acetyl-N-[(3-cyclohexyloxyphenyl)methyl]-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for (2S)-1-acetyl-N-[(3-cyclohexyloxyphenyl)methyl]-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for (2S)-1-acetyl-N-[(3-cyclohexyloxyphenyl)methyl]-2,3-dihydroindole-2-carboxamide is CC(=O)N1c2ccccc2C[C@H]1C(=O)NCc1cccc(OC2CCCCC2)c1.
What is the InChIKey of (2S)-1-acetyl-N-[(3-cyclohexyloxyphenyl)methyl]-2,3-dihydroindole-2-carboxamide?
The InChIKey is DLPWFHNFKXTYOE-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-17(27)26-22-13-6-5-9-19(22)15-23(26)24(28)25-16-18-8-7-12-21(14-18)29-20-10-3-2-4-11-20/h5-9,12-14,20,23H,2-4,10-11,15-16H2,1H3,(H,25,28)/t23-/m0/s1.
What are the key properties of (2S)-1-acetyl-N-[(3-cyclohexyloxyphenyl)methyl]-2,3-dihydroindole-2-carboxamide?
(2S)-1-acetyl-N-[(3-cyclohexyloxyphenyl)methyl]-2,3-dihydroindole-2-carboxamide has a molecular weight of 392.50 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-acetyl-N-[(3-cyclohexyloxyphenyl)methyl]-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 86941910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).