N-[(1S)-3-(dimethylamino)-3-oxo-1-phenylpropyl]-5-ethyl-4-methylfuran-2-carboxamide

C19H24N2O3 — CID 97226096

IUPACN-[(1S)-3-(dimethylamino)-3-oxo-1-phenylpropyl]-5-ethyl-4-methylfuran-2-carboxamide
SMILESCCc1oc(C(=O)N[C@@H](CC(=O)N(C)C)c2ccccc2)cc1C
InChIInChI=1S/C19H24N2O3/c1-5-16-13(2)11-17(24-16)19(23)20-15(12-18(22)21(3)4)14-9-7-6-8-10-14/h6-11,15H,5,12H2,1-4H3,(H,20,23)/t15-/m0/s1
InChIKeyCEQMPAVUANLREM-HNNXBMFYSA-N
MW328.41 g/mol
LogP3.10
Rot. Bonds6

About N-[(1S)-3-(dimethylamino)-3-oxo-1-phenylpropyl]-5-ethyl-4-methylfuran-2-carboxamide

N-[(1S)-3-(dimethylamino)-3-oxo-1-phenylpropyl]-5-ethyl-4-methylfuran-2-carboxamide (PubChem CID 97226096) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is N-[(1S)-3-(dimethylamino)-3-oxo-1-phenylpropyl]-5-ethyl-4-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-3-(dimethylamino)-3-oxo-1-phenylpropyl]-5-ethyl-4-methylfuran-2-carboxamide
PubChem CID97226096
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC NameN-[(1S)-3-(dimethylamino)-3-oxo-1-phenylpropyl]-5-ethyl-4-methylfuran-2-carboxamide
SMILESCCc1oc(C(=O)N[C@@H](CC(=O)N(C)C)c2ccccc2)cc1C
InChIInChI=1S/C19H24N2O3/c1-5-16-13(2)11-17(24-16)19(23)20-15(12-18(22)21(3)4)14-9-7-6-8-10-14/h6-11,15H,5,12H2,1-4H3,(H,20,23)/t15-/m0/s1
InChIKeyCEQMPAVUANLREM-HNNXBMFYSA-N
XLogP3.10
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-5-ethyl-4-methylfuran-2-carboxamide
CID 99785478
N-[(1R)-3-(dimethylamino)-3-oxo-1-phenylpropyl]benzamide
CID 40591318
N-[(1R)-3-(dimethylamino)-3-oxo-1-phenylpropyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 94675875
N-[3-(dimethylamino)-3-oxo-1-phenylpropyl]-2-methyl-4-(trifluoromethyl)benzamide
CID 166235083
2-[(5-ethyl-4-methylfuran-2-carbonyl)amino]butanoic acid
CID 120523298
2-ethyl-5-(1-phenylethylcarbamoyl)furan-3-carboxylic acid
CID 120820547
N,N-dimethyl-3-[[2-(methylamino)acetyl]amino]-3-phenylpropanamide
CID 142268155
3-[(5-ethylfuran-2-carbonyl)amino]-3-phenylpropanoic acid
CID 43351348
N-[(1R)-3-[[2-(dimethylamino)-2-oxoethyl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 9480729
(2S)-2-[(5-ethyl-4-methylfuran-2-carbonyl)amino]hexanoic acid
CID 120614519
(3S)-N,N-dimethyl-3-[[methyl-[(2S)-pentan-2-yl]carbamoyl]amino]-3-phenylpropanamide
CID 94797585
(3S)-N,N-dimethyl-3-[(4-methylphenyl)carbamoylamino]-3-phenylpropanamide
CID 94782001

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-3-(dimethylamino)-3-oxo-1-phenylpropyl]-5-ethyl-4-methylfuran-2-carboxamide?
The IUPAC name of N-[(1S)-3-(dimethylamino)-3-oxo-1-phenylpropyl]-5-ethyl-4-methylfuran-2-carboxamide (CID 97226096) is N-[(1S)-3-(dimethylamino)-3-oxo-1-phenylpropyl]-5-ethyl-4-methylfuran-2-carboxamide.
What is the SMILES notation for N-[(1S)-3-(dimethylamino)-3-oxo-1-phenylpropyl]-5-ethyl-4-methylfuran-2-carboxamide?
The canonical SMILES for N-[(1S)-3-(dimethylamino)-3-oxo-1-phenylpropyl]-5-ethyl-4-methylfuran-2-carboxamide is CCc1oc(C(=O)N[C@@H](CC(=O)N(C)C)c2ccccc2)cc1C.
What is the InChIKey of N-[(1S)-3-(dimethylamino)-3-oxo-1-phenylpropyl]-5-ethyl-4-methylfuran-2-carboxamide?
The InChIKey is CEQMPAVUANLREM-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-5-16-13(2)11-17(24-16)19(23)20-15(12-18(22)21(3)4)14-9-7-6-8-10-14/h6-11,15H,5,12H2,1-4H3,(H,20,23)/t15-/m0/s1.
What are the key properties of N-[(1S)-3-(dimethylamino)-3-oxo-1-phenylpropyl]-5-ethyl-4-methylfuran-2-carboxamide?
N-[(1S)-3-(dimethylamino)-3-oxo-1-phenylpropyl]-5-ethyl-4-methylfuran-2-carboxamide has a molecular weight of 328.41 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-3-(dimethylamino)-3-oxo-1-phenylpropyl]-5-ethyl-4-methylfuran-2-carboxamide is sourced from PubChem (CID 97226096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).