N-[(1R,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-5-ethyl-4-methylfuran-2-carboxamide

C19H26N2O2 — CID 99785478

IUPACN-[(1R,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-5-ethyl-4-methylfuran-2-carboxamide
SMILESCCc1oc(C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)cc1C
InChIInChI=1S/C19H26N2O2/c1-6-16-13(2)12-17(23-16)19(22)20-14(3)18(21(4)5)15-10-8-7-9-11-15/h7-12,14,18H,6H2,1-5H3,(H,20,22)/t14-,18-/m0/s1
InChIKeyYCFNTHBOPWBBCS-KSSFIOAISA-N
MW314.43 g/mol
LogP3.57
Rot. Bonds6

About N-[(1R,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-5-ethyl-4-methylfuran-2-carboxamide

N-[(1R,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-5-ethyl-4-methylfuran-2-carboxamide (PubChem CID 99785478) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is N-[(1R,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-5-ethyl-4-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-5-ethyl-4-methylfuran-2-carboxamide
PubChem CID99785478
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC NameN-[(1R,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-5-ethyl-4-methylfuran-2-carboxamide
SMILESCCc1oc(C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)cc1C
InChIInChI=1S/C19H26N2O2/c1-6-16-13(2)12-17(23-16)19(22)20-14(3)18(21(4)5)15-10-8-7-9-11-15/h7-12,14,18H,6H2,1-5H3,(H,20,22)/t14-,18-/m0/s1
InChIKeyYCFNTHBOPWBBCS-KSSFIOAISA-N
XLogP3.57
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-3-(dimethylamino)-3-oxo-1-phenylpropyl]-5-ethyl-4-methylfuran-2-carboxamide
CID 97226096
N-[(1S,2R)-1-(dimethylamino)-1-phenylpropan-2-yl]benzamide
CID 51696070
2-[(5-ethyl-4-methylfuran-2-carbonyl)amino]butanoic acid
CID 120523298
2-ethyl-5-(1-phenylethylcarbamoyl)furan-3-carboxylic acid
CID 120820547
(2S)-2-[(5-ethyl-4-methylfuran-2-carbonyl)amino]hexanoic acid
CID 120614519
N,5-diethyl-4-methylfuran-2-carboxamide
CID 130645001
3-[(5-ethyl-4-methylfuran-2-carbonyl)amino]-2-methyl-2-phenylpropanoic acid
CID 120701392
2-ethyl-5-[methyl(1-phenylethyl)carbamoyl]furan-3-carboxylic acid
CID 120820730
3-[[[1-(dimethylamino)-1-phenylpropan-2-yl]amino]methyl]benzoic acid
CID 122032989
N-[(1R,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-3-methylsulfanylthiophene-2-carboxamide
CID 124619228
N-[(1S,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-2-pyrazol-1-ylpyridine-3-carboxamide
CID 99839436
3-[(5-ethyl-4-methylfuran-2-carbonyl)amino]-4-methylbenzoic acid
CID 120522327

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-5-ethyl-4-methylfuran-2-carboxamide?
The IUPAC name of N-[(1R,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-5-ethyl-4-methylfuran-2-carboxamide (CID 99785478) is N-[(1R,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-5-ethyl-4-methylfuran-2-carboxamide.
What is the SMILES notation for N-[(1R,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-5-ethyl-4-methylfuran-2-carboxamide?
The canonical SMILES for N-[(1R,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-5-ethyl-4-methylfuran-2-carboxamide is CCc1oc(C(=O)N[C@@H](C)[C@@H](c2ccccc2)N(C)C)cc1C.
What is the InChIKey of N-[(1R,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-5-ethyl-4-methylfuran-2-carboxamide?
The InChIKey is YCFNTHBOPWBBCS-KSSFIOAISA-N. The full InChI is InChI=1S/C19H26N2O2/c1-6-16-13(2)12-17(23-16)19(22)20-14(3)18(21(4)5)15-10-8-7-9-11-15/h7-12,14,18H,6H2,1-5H3,(H,20,22)/t14-,18-/m0/s1.
What are the key properties of N-[(1R,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-5-ethyl-4-methylfuran-2-carboxamide?
N-[(1R,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-5-ethyl-4-methylfuran-2-carboxamide has a molecular weight of 314.43 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-5-ethyl-4-methylfuran-2-carboxamide is sourced from PubChem (CID 99785478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).