1-[2-(diethylamino)-2-oxoethyl]-N-[(3R)-3-(furan-2-yl)-3-phenylpropyl]triazole-4-carboxamide

C22H27N5O3 — CID 25453971

IUPAC1-[2-(diethylamino)-2-oxoethyl]-N-[(3R)-3-(furan-2-yl)-3-phenylpropyl]triazole-4-carboxamide
SMILESCCN(CC)C(=O)Cn1cc(C(=O)NCC[C@H](c2ccccc2)c2ccco2)nn1
InChIInChI=1S/C22H27N5O3/c1-3-26(4-2)21(28)16-27-15-19(24-25-27)22(29)23-13-12-18(20-11-8-14-30-20)17-9-6-5-7-10-17/h5-11,14-15,18H,3-4,12-13,16H2,1-2H3,(H,23,29)/t18-/m1/s1
InChIKeyMNIJYPRCYBSTNC-GOSISDBHSA-N
MW409.49 g/mol
LogP2.69
Rot. Bonds10

About 1-[2-(diethylamino)-2-oxoethyl]-N-[(3R)-3-(furan-2-yl)-3-phenylpropyl]triazole-4-carboxamide

1-[2-(diethylamino)-2-oxoethyl]-N-[(3R)-3-(furan-2-yl)-3-phenylpropyl]triazole-4-carboxamide (PubChem CID 25453971) has the molecular formula C22H27N5O3 and a molecular weight of 409.49 g/mol. Its IUPAC name is 1-[2-(diethylamino)-2-oxoethyl]-N-[(3R)-3-(furan-2-yl)-3-phenylpropyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-[2-(diethylamino)-2-oxoethyl]-N-[(3R)-3-(furan-2-yl)-3-phenylpropyl]triazole-4-carboxamide
PubChem CID25453971
Molecular FormulaC22H27N5O3
Molecular Weight409.49 g/mol
Exact Mass409.21
IUPAC Name1-[2-(diethylamino)-2-oxoethyl]-N-[(3R)-3-(furan-2-yl)-3-phenylpropyl]triazole-4-carboxamide
SMILESCCN(CC)C(=O)Cn1cc(C(=O)NCC[C@H](c2ccccc2)c2ccco2)nn1
InChIInChI=1S/C22H27N5O3/c1-3-26(4-2)21(28)16-27-15-19(24-25-27)22(29)23-13-12-18(20-11-8-14-30-20)17-9-6-5-7-10-17/h5-11,14-15,18H,3-4,12-13,16H2,1-2H3,(H,23,29)/t18-/m1/s1
InChIKeyMNIJYPRCYBSTNC-GOSISDBHSA-N
XLogP2.69
TPSA93.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3S)-3-(furan-2-yl)-3-phenylpropyl]-5-propyl-1,2-oxazole-3-carboxamide
CID 96572832
2-[4-[1-(furan-2-yl)ethylcarbamoyl]triazol-1-yl]acetic acid
CID 66289994
N-[3-(furan-2-yl)-3-phenylpropyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 131922221
1-[2-(diethylamino)-2-oxoethyl]-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]triazole-4-carboxamide
CID 42241652
1-[2-(diethylamino)-2-oxoethyl]-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]triazole-4-carboxamide
CID 42153290
5-(difluoromethyl)-N-[(3S)-3-(furan-2-yl)-3-phenylpropyl]-1H-pyrazole-3-carboxamide
CID 126449599
5-(difluoromethyl)-N-[(3R)-3-(furan-2-yl)-3-phenylpropyl]-1H-pyrazole-3-carboxamide
CID 126449598
3-[(3R)-3-(furan-2-yl)-3-phenylpropyl]-1-methyl-1-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]urea
CID 126443492
N-[3-(furan-2-yl)-3-phenylpropyl]pyridazine-4-carboxamide
CID 45249743
N-[(3R)-3-(furan-2-yl)-3-phenylpropyl]thiophene-2-carboxamide
CID 940351
2-[4-(2-ethoxyethylcarbamoyl)triazol-1-yl]acetic acid
CID 66288954
1-[2-(dimethylamino)-2-oxoethyl]-N-[(1R)-1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]triazole-4-carboxamide
CID 95343414

Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)-2-oxoethyl]-N-[(3R)-3-(furan-2-yl)-3-phenylpropyl]triazole-4-carboxamide?
The IUPAC name of 1-[2-(diethylamino)-2-oxoethyl]-N-[(3R)-3-(furan-2-yl)-3-phenylpropyl]triazole-4-carboxamide (CID 25453971) is 1-[2-(diethylamino)-2-oxoethyl]-N-[(3R)-3-(furan-2-yl)-3-phenylpropyl]triazole-4-carboxamide.
What is the SMILES notation for 1-[2-(diethylamino)-2-oxoethyl]-N-[(3R)-3-(furan-2-yl)-3-phenylpropyl]triazole-4-carboxamide?
The canonical SMILES for 1-[2-(diethylamino)-2-oxoethyl]-N-[(3R)-3-(furan-2-yl)-3-phenylpropyl]triazole-4-carboxamide is CCN(CC)C(=O)Cn1cc(C(=O)NCC[C@H](c2ccccc2)c2ccco2)nn1.
What is the InChIKey of 1-[2-(diethylamino)-2-oxoethyl]-N-[(3R)-3-(furan-2-yl)-3-phenylpropyl]triazole-4-carboxamide?
The InChIKey is MNIJYPRCYBSTNC-GOSISDBHSA-N. The full InChI is InChI=1S/C22H27N5O3/c1-3-26(4-2)21(28)16-27-15-19(24-25-27)22(29)23-13-12-18(20-11-8-14-30-20)17-9-6-5-7-10-17/h5-11,14-15,18H,3-4,12-13,16H2,1-2H3,(H,23,29)/t18-/m1/s1.
What are the key properties of 1-[2-(diethylamino)-2-oxoethyl]-N-[(3R)-3-(furan-2-yl)-3-phenylpropyl]triazole-4-carboxamide?
1-[2-(diethylamino)-2-oxoethyl]-N-[(3R)-3-(furan-2-yl)-3-phenylpropyl]triazole-4-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 2.69, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)-2-oxoethyl]-N-[(3R)-3-(furan-2-yl)-3-phenylpropyl]triazole-4-carboxamide is sourced from PubChem (CID 25453971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).