2-methyl-4-(2-methylprop-2-enyl)-N-[(1R)-1-phenylethyl]furo[3,2-b]pyrrole-5-carboxamide

C20H22N2O2 — CID 7112861

IUPAC2-methyl-4-(2-methylprop-2-enyl)-N-[(1R)-1-phenylethyl]furo[3,2-b]pyrrole-5-carboxamide
SMILESC=C(C)Cn1c(C(=O)N[C@H](C)c2ccccc2)cc2oc(C)cc21
InChIInChI=1S/C20H22N2O2/c1-13(2)12-22-17-10-14(3)24-19(17)11-18(22)20(23)21-15(4)16-8-6-5-7-9-16/h5-11,15H,1,12H2,2-4H3,(H,21,23)/t15-/m1/s1
InChIKeyQKICLCJJRYZYGA-OAHLLOKOSA-N
MW322.41 g/mol
LogP4.61
Rot. Bonds5

About 2-methyl-4-(2-methylprop-2-enyl)-N-[(1R)-1-phenylethyl]furo[3,2-b]pyrrole-5-carboxamide

2-methyl-4-(2-methylprop-2-enyl)-N-[(1R)-1-phenylethyl]furo[3,2-b]pyrrole-5-carboxamide (PubChem CID 7112861) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-methyl-4-(2-methylprop-2-enyl)-N-[(1R)-1-phenylethyl]furo[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-4-(2-methylprop-2-enyl)-N-[(1R)-1-phenylethyl]furo[3,2-b]pyrrole-5-carboxamide
PubChem CID7112861
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name2-methyl-4-(2-methylprop-2-enyl)-N-[(1R)-1-phenylethyl]furo[3,2-b]pyrrole-5-carboxamide
SMILESC=C(C)Cn1c(C(=O)N[C@H](C)c2ccccc2)cc2oc(C)cc21
InChIInChI=1S/C20H22N2O2/c1-13(2)12-22-17-10-14(3)24-19(17)11-18(22)20(23)21-15(4)16-8-6-5-7-9-16/h5-11,15H,1,12H2,2-4H3,(H,21,23)/t15-/m1/s1
InChIKeyQKICLCJJRYZYGA-OAHLLOKOSA-N
XLogP4.61
TPSA47.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dimethylamino)ethyl]-2-methyl-4-(2-methylprop-2-enyl)furo[3,2-b]pyrrole-5-carboxamide
CID 3491712
N-hexyl-2-methyl-4-(2-methylprop-2-enyl)furo[3,2-b]pyrrole-5-carboxamide
CID 42792724
1-benzyl-N-[(1R)-1-phenylethyl]indole-2-carboxamide
CID 7313084
2-(12-ethyl-4-methyl-9-oxo-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl)-N-(1-phenylethyl)butanamide
CID 20884078
5-methyl-N-[(1S)-1-phenylethyl]furan-2-carboxamide
CID 844051
methyl 4-[2-[benzyl(ethyl)amino]-2-oxoethyl]-2-methylfuro[3,2-b]pyrrole-5-carboxylate
CID 20883449
4-(cyclopropylmethyl)-N-[(1S)-1-phenylethyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 93324428
4-(2-methylprop-2-enyl)-N-(2-phenylethyl)furo[3,2-b]pyrrole-5-carboxamide
CID 42792567
4-benzyl-N-[(1S)-1-phenylethyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 51889638
N-[2-(3,4-dimethoxyphenyl)ethyl]-N,2-dimethyl-4-(2-methylprop-2-enyl)furo[3,2-b]pyrrole-5-carboxamide
CID 7301804
(2S)-2,4-dimethyl-N-[(1S)-1-phenylethyl]pent-4-enamide
CID 135041041
ethane;N-(1-phenylethyl)prop-1-en-2-amine
CID 142973313

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-methylprop-2-enyl)-N-[(1R)-1-phenylethyl]furo[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 2-methyl-4-(2-methylprop-2-enyl)-N-[(1R)-1-phenylethyl]furo[3,2-b]pyrrole-5-carboxamide (CID 7112861) is 2-methyl-4-(2-methylprop-2-enyl)-N-[(1R)-1-phenylethyl]furo[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 2-methyl-4-(2-methylprop-2-enyl)-N-[(1R)-1-phenylethyl]furo[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 2-methyl-4-(2-methylprop-2-enyl)-N-[(1R)-1-phenylethyl]furo[3,2-b]pyrrole-5-carboxamide is C=C(C)Cn1c(C(=O)N[C@H](C)c2ccccc2)cc2oc(C)cc21.
What is the InChIKey of 2-methyl-4-(2-methylprop-2-enyl)-N-[(1R)-1-phenylethyl]furo[3,2-b]pyrrole-5-carboxamide?
The InChIKey is QKICLCJJRYZYGA-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-13(2)12-22-17-10-14(3)24-19(17)11-18(22)20(23)21-15(4)16-8-6-5-7-9-16/h5-11,15H,1,12H2,2-4H3,(H,21,23)/t15-/m1/s1.
What are the key properties of 2-methyl-4-(2-methylprop-2-enyl)-N-[(1R)-1-phenylethyl]furo[3,2-b]pyrrole-5-carboxamide?
2-methyl-4-(2-methylprop-2-enyl)-N-[(1R)-1-phenylethyl]furo[3,2-b]pyrrole-5-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-methylprop-2-enyl)-N-[(1R)-1-phenylethyl]furo[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 7112861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).