N-[4-(dimethylamino)-3-methylphenyl]-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]furan-2-carboxamide

C24H27N3O2 — CID 97003727

IUPACN-[4-(dimethylamino)-3-methylphenyl]-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]furan-2-carboxamide
SMILESCc1cc(NC(=O)c2occc2CN2c3ccccc3C[C@@H]2C)ccc1N(C)C
InChIInChI=1S/C24H27N3O2/c1-16-13-20(9-10-21(16)26(3)4)25-24(28)23-19(11-12-29-23)15-27-17(2)14-18-7-5-6-8-22(18)27/h5-13,17H,14-15H2,1-4H3,(H,25,28)/t17-/m0/s1
InChIKeyJMCLJEXZPRCANK-KRWDZBQOSA-N
MW389.50 g/mol
LogP4.86
Rot. Bonds5

About N-[4-(dimethylamino)-3-methylphenyl]-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]furan-2-carboxamide

N-[4-(dimethylamino)-3-methylphenyl]-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]furan-2-carboxamide (PubChem CID 97003727) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-[4-(dimethylamino)-3-methylphenyl]-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)-3-methylphenyl]-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]furan-2-carboxamide
PubChem CID97003727
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC NameN-[4-(dimethylamino)-3-methylphenyl]-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]furan-2-carboxamide
SMILESCc1cc(NC(=O)c2occc2CN2c3ccccc3C[C@@H]2C)ccc1N(C)C
InChIInChI=1S/C24H27N3O2/c1-16-13-20(9-10-21(16)26(3)4)25-24(28)23-19(11-12-29-23)15-27-17(2)14-18-7-5-6-8-22(18)27/h5-13,17H,14-15H2,1-4H3,(H,25,28)/t17-/m0/s1
InChIKeyJMCLJEXZPRCANK-KRWDZBQOSA-N
XLogP4.86
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)-3-methylphenyl]-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]furan-2-carboxamide?
The IUPAC name of N-[4-(dimethylamino)-3-methylphenyl]-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]furan-2-carboxamide (CID 97003727) is N-[4-(dimethylamino)-3-methylphenyl]-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)-3-methylphenyl]-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]furan-2-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)-3-methylphenyl]-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]furan-2-carboxamide is Cc1cc(NC(=O)c2occc2CN2c3ccccc3C[C@@H]2C)ccc1N(C)C.
What is the InChIKey of N-[4-(dimethylamino)-3-methylphenyl]-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]furan-2-carboxamide?
The InChIKey is JMCLJEXZPRCANK-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-16-13-20(9-10-21(16)26(3)4)25-24(28)23-19(11-12-29-23)15-27-17(2)14-18-7-5-6-8-22(18)27/h5-13,17H,14-15H2,1-4H3,(H,25,28)/t17-/m0/s1.
What are the key properties of N-[4-(dimethylamino)-3-methylphenyl]-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]furan-2-carboxamide?
N-[4-(dimethylamino)-3-methylphenyl]-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]furan-2-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)-3-methylphenyl]-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 97003727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).