ethyl 3-[(7-methyl-2,3-dihydro-1H-indole-2-carbonyl)amino]-3-phenylpropanoate

C21H24N2O3 — CID 146395282

IUPACethyl 3-[(7-methyl-2,3-dihydro-1H-indole-2-carbonyl)amino]-3-phenylpropanoate
SMILESCCOC(=O)CC(NC(=O)C1Cc2cccc(C)c2N1)c1ccccc1
InChIInChI=1S/C21H24N2O3/c1-3-26-19(24)13-17(15-9-5-4-6-10-15)23-21(25)18-12-16-11-7-8-14(2)20(16)22-18/h4-11,17-18,22H,3,12-13H2,1-2H3,(H,23,25)
InChIKeyTXXVWNBNGNVPOK-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.14
Rot. Bonds6

About ethyl 3-[(7-methyl-2,3-dihydro-1H-indole-2-carbonyl)amino]-3-phenylpropanoate

ethyl 3-[(7-methyl-2,3-dihydro-1H-indole-2-carbonyl)amino]-3-phenylpropanoate (PubChem CID 146395282) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is ethyl 3-[(7-methyl-2,3-dihydro-1H-indole-2-carbonyl)amino]-3-phenylpropanoate.

Molecular Properties

Compound Nameethyl 3-[(7-methyl-2,3-dihydro-1H-indole-2-carbonyl)amino]-3-phenylpropanoate
PubChem CID146395282
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Nameethyl 3-[(7-methyl-2,3-dihydro-1H-indole-2-carbonyl)amino]-3-phenylpropanoate
SMILESCCOC(=O)CC(NC(=O)C1Cc2cccc(C)c2N1)c1ccccc1
InChIInChI=1S/C21H24N2O3/c1-3-26-19(24)13-17(15-9-5-4-6-10-15)23-21(25)18-12-16-11-7-8-14(2)20(16)22-18/h4-11,17-18,22H,3,12-13H2,1-2H3,(H,23,25)
InChIKeyTXXVWNBNGNVPOK-UHFFFAOYSA-N
XLogP3.14
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (3S)-3-[(4,4-difluorocyclohexanecarbonyl)amino]-3-phenylpropanoate
CID 10131981
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146394864
N-[3-(dimethylamino)-2-phenylpropyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146394841
ethyl (3S)-3-(oxolane-3-carbonylamino)-3-phenylpropanoate
CID 58782549
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146394481
3-[(5-oxopyrrolidine-2-carbonyl)amino]-3-phenylpropanoic acid
CID 24690464
ethyl 3-phenyl-3-(1-phenylethylamino)propanoate
CID 76738630
propan-2-yl 3-phenyl-3-(piperidine-4-carbonylamino)propanoate
CID 119274330
N-[(R)-cyclopropyl-(3-methylpiperidin-2-yl)methyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146395084
N-[3-(3-aminopropanoylamino)cyclopentyl]-7-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 146394447
7-methyl-N-(1,3-oxazolidin-4-ylmethyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 146394940
3-[(4-methylpiperidine-2-carbonyl)amino]-3-phenylpropanoic acid
CID 115867052

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(7-methyl-2,3-dihydro-1H-indole-2-carbonyl)amino]-3-phenylpropanoate?
The IUPAC name of ethyl 3-[(7-methyl-2,3-dihydro-1H-indole-2-carbonyl)amino]-3-phenylpropanoate (CID 146395282) is ethyl 3-[(7-methyl-2,3-dihydro-1H-indole-2-carbonyl)amino]-3-phenylpropanoate.
What is the SMILES notation for ethyl 3-[(7-methyl-2,3-dihydro-1H-indole-2-carbonyl)amino]-3-phenylpropanoate?
The canonical SMILES for ethyl 3-[(7-methyl-2,3-dihydro-1H-indole-2-carbonyl)amino]-3-phenylpropanoate is CCOC(=O)CC(NC(=O)C1Cc2cccc(C)c2N1)c1ccccc1.
What is the InChIKey of ethyl 3-[(7-methyl-2,3-dihydro-1H-indole-2-carbonyl)amino]-3-phenylpropanoate?
The InChIKey is TXXVWNBNGNVPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-3-26-19(24)13-17(15-9-5-4-6-10-15)23-21(25)18-12-16-11-7-8-14(2)20(16)22-18/h4-11,17-18,22H,3,12-13H2,1-2H3,(H,23,25).
What are the key properties of ethyl 3-[(7-methyl-2,3-dihydro-1H-indole-2-carbonyl)amino]-3-phenylpropanoate?
ethyl 3-[(7-methyl-2,3-dihydro-1H-indole-2-carbonyl)amino]-3-phenylpropanoate has a molecular weight of 352.43 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(7-methyl-2,3-dihydro-1H-indole-2-carbonyl)amino]-3-phenylpropanoate is sourced from PubChem (CID 146395282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).