N-[3-(dimethylamino)-2-phenylpropyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide

C21H27N3O — CID 146394841

IUPACN-[3-(dimethylamino)-2-phenylpropyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
SMILESCc1cccc2c1NC(C(=O)NCC(CN(C)C)c1ccccc1)C2
InChIInChI=1S/C21H27N3O/c1-15-8-7-11-17-12-19(23-20(15)17)21(25)22-13-18(14-24(2)3)16-9-5-4-6-10-16/h4-11,18-19,23H,12-14H2,1-3H3,(H,22,25)
InChIKeyWRUDKLVDFVTCDR-UHFFFAOYSA-N
MW337.47 g/mol
LogP2.79
Rot. Bonds6

About N-[3-(dimethylamino)-2-phenylpropyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide

N-[3-(dimethylamino)-2-phenylpropyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 146394841) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is N-[3-(dimethylamino)-2-phenylpropyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-2-phenylpropyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID146394841
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC NameN-[3-(dimethylamino)-2-phenylpropyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
SMILESCc1cccc2c1NC(C(=O)NCC(CN(C)C)c1ccccc1)C2
InChIInChI=1S/C21H27N3O/c1-15-8-7-11-17-12-19(23-20(15)17)21(25)22-13-18(14-24(2)3)16-9-5-4-6-10-16/h4-11,18-19,23H,12-14H2,1-3H3,(H,22,25)
InChIKeyWRUDKLVDFVTCDR-UHFFFAOYSA-N
XLogP2.79
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-hydroxy-2-(2-methylphenyl)ethyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146394481
ethyl 3-[(7-methyl-2,3-dihydro-1H-indole-2-carbonyl)amino]-3-phenylpropanoate
CID 146395282
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146394864
7-methyl-N-(1,3-oxazolidin-4-ylmethyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 146394940
N-[2-[(dimethylamino)methyl]-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridin-6-yl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146395195
3-(2,3-dihydro-1H-indole-2-carbonylamino)-2-methylpropanoic acid
CID 54462725
benzyl N-[3-(dimethylamino)-2-phenylpropyl]carbamate
CID 18470878
(2S)-N-(2,3-dimethylbutyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 64599096
N-[3-(3-aminopropanoylamino)cyclopentyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146394447
(3R)-N-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 125150413
7-methyl-N-[4-(trifluoromethyl)cyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 146395012
3-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]-2-hydroxypropanoic acid
CID 66167597

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-2-phenylpropyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of N-[3-(dimethylamino)-2-phenylpropyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide (CID 146394841) is N-[3-(dimethylamino)-2-phenylpropyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)-2-phenylpropyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)-2-phenylpropyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide is Cc1cccc2c1NC(C(=O)NCC(CN(C)C)c1ccccc1)C2.
What is the InChIKey of N-[3-(dimethylamino)-2-phenylpropyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is WRUDKLVDFVTCDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-15-8-7-11-17-12-19(23-20(15)17)21(25)22-13-18(14-24(2)3)16-9-5-4-6-10-16/h4-11,18-19,23H,12-14H2,1-3H3,(H,22,25).
What are the key properties of N-[3-(dimethylamino)-2-phenylpropyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide?
N-[3-(dimethylamino)-2-phenylpropyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 337.47 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-2-phenylpropyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 146394841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).