ethyl (E)-3-[[1-(cyclopropylmethyl)indol-5-yl]amino]-3-phenylprop-2-enoate

C23H24N2O2 — CID 23636399

IUPACethyl (E)-3-[[1-(cyclopropylmethyl)indol-5-yl]amino]-3-phenylprop-2-enoate
SMILESCCOC(=O)/C=C(/Nc1ccc2c(ccn2CC2CC2)c1)c1ccccc1
InChIInChI=1S/C23H24N2O2/c1-2-27-23(26)15-21(18-6-4-3-5-7-18)24-20-10-11-22-19(14-20)12-13-25(22)16-17-8-9-17/h3-7,10-15,17,24H,2,8-9,16H2,1H3/b21-15+
InChIKeyOQXXQGLYUKWMGT-RCCKNPSSSA-N
MW360.46 g/mol
LogP5.07
Rot. Bonds7

About ethyl (E)-3-[[1-(cyclopropylmethyl)indol-5-yl]amino]-3-phenylprop-2-enoate

ethyl (E)-3-[[1-(cyclopropylmethyl)indol-5-yl]amino]-3-phenylprop-2-enoate (PubChem CID 23636399) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is ethyl (E)-3-[[1-(cyclopropylmethyl)indol-5-yl]amino]-3-phenylprop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-[[1-(cyclopropylmethyl)indol-5-yl]amino]-3-phenylprop-2-enoate
PubChem CID23636399
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Nameethyl (E)-3-[[1-(cyclopropylmethyl)indol-5-yl]amino]-3-phenylprop-2-enoate
SMILESCCOC(=O)/C=C(/Nc1ccc2c(ccn2CC2CC2)c1)c1ccccc1
InChIInChI=1S/C23H24N2O2/c1-2-27-23(26)15-21(18-6-4-3-5-7-18)24-20-10-11-22-19(14-20)12-13-25(22)16-17-8-9-17/h3-7,10-15,17,24H,2,8-9,16H2,1H3/b21-15+
InChIKeyOQXXQGLYUKWMGT-RCCKNPSSSA-N
XLogP5.07
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.46
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl (Z)-3-(4-chloroanilino)-3-(4-chlorophenyl)prop-2-enoate
CID 100940925
2-[1-(cyclopropylmethyl)indol-5-yl]-2-methylpropanoic acid
CID 117118786
ethyl (Z)-4,4,4-trifluoro-3-[(1-methyl-2-phenylindol-5-yl)amino]but-2-enoate
CID 5292969
ethyl (E)-3-phenyl-3-[[(1R)-1-phenylethyl]amino]prop-2-enoate
CID 15456276
ethyl (E)-3-(benzylamino)-3-phenylprop-2-enoate
CID 101404500
ethyl (Z)-3-(4-methoxyanilino)-4-oxo-4-phenylbut-2-enoate
CID 118156749
ethyl (Z)-3-(4-acetamidophenyl)-3-phenylprop-2-enoate
CID 11120432
ethyl (E)-3-(3-cyanophenyl)-3-(1H-indol-5-ylamino)prop-2-enoate
CID 11522790
ethyl (E)-3-anilino-3-ethoxyprop-2-enoate
CID 134965234
cis-(1S,2R)-2-ethoxy-N-(1-ethylindol-5-yl)cyclopropane-1-carboxamide
CID 96997581
5-ethoxy-5-oxo-3-phenylpent-3-enoic acid
CID 70049412
1-N,2-N-bis[1-(2-methoxyethyl)indol-5-yl]cyclopropane-1,2-dicarboxamide
CID 167911759

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-[[1-(cyclopropylmethyl)indol-5-yl]amino]-3-phenylprop-2-enoate?
The IUPAC name of ethyl (E)-3-[[1-(cyclopropylmethyl)indol-5-yl]amino]-3-phenylprop-2-enoate (CID 23636399) is ethyl (E)-3-[[1-(cyclopropylmethyl)indol-5-yl]amino]-3-phenylprop-2-enoate.
What is the SMILES notation for ethyl (E)-3-[[1-(cyclopropylmethyl)indol-5-yl]amino]-3-phenylprop-2-enoate?
The canonical SMILES for ethyl (E)-3-[[1-(cyclopropylmethyl)indol-5-yl]amino]-3-phenylprop-2-enoate is CCOC(=O)/C=C(/Nc1ccc2c(ccn2CC2CC2)c1)c1ccccc1.
What is the InChIKey of ethyl (E)-3-[[1-(cyclopropylmethyl)indol-5-yl]amino]-3-phenylprop-2-enoate?
The InChIKey is OQXXQGLYUKWMGT-RCCKNPSSSA-N. The full InChI is InChI=1S/C23H24N2O2/c1-2-27-23(26)15-21(18-6-4-3-5-7-18)24-20-10-11-22-19(14-20)12-13-25(22)16-17-8-9-17/h3-7,10-15,17,24H,2,8-9,16H2,1H3/b21-15+.
What are the key properties of ethyl (E)-3-[[1-(cyclopropylmethyl)indol-5-yl]amino]-3-phenylprop-2-enoate?
ethyl (E)-3-[[1-(cyclopropylmethyl)indol-5-yl]amino]-3-phenylprop-2-enoate has a molecular weight of 360.46 g/mol, XLogP of 5.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-[[1-(cyclopropylmethyl)indol-5-yl]amino]-3-phenylprop-2-enoate is sourced from PubChem (CID 23636399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).