N-[4-[(1-ethylimidazol-2-yl)methyl-methylcarbamoyl]phenyl]-2-methylfuran-3-carboxamide

C20H22N4O3 — CID 46997029

IUPACN-[4-[(1-ethylimidazol-2-yl)methyl-methylcarbamoyl]phenyl]-2-methylfuran-3-carboxamide
SMILESCCn1ccnc1CN(C)C(=O)c1ccc(NC(=O)c2ccoc2C)cc1
InChIInChI=1S/C20H22N4O3/c1-4-24-11-10-21-18(24)13-23(3)20(26)15-5-7-16(8-6-15)22-19(25)17-9-12-27-14(17)2/h5-12H,4,13H2,1-3H3,(H,22,25)
InChIKeyHBHAEXOKCJCXJW-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.33
Rot. Bonds6

About N-[4-[(1-ethylimidazol-2-yl)methyl-methylcarbamoyl]phenyl]-2-methylfuran-3-carboxamide

N-[4-[(1-ethylimidazol-2-yl)methyl-methylcarbamoyl]phenyl]-2-methylfuran-3-carboxamide (PubChem CID 46997029) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-[4-[(1-ethylimidazol-2-yl)methyl-methylcarbamoyl]phenyl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(1-ethylimidazol-2-yl)methyl-methylcarbamoyl]phenyl]-2-methylfuran-3-carboxamide
PubChem CID46997029
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC NameN-[4-[(1-ethylimidazol-2-yl)methyl-methylcarbamoyl]phenyl]-2-methylfuran-3-carboxamide
SMILESCCn1ccnc1CN(C)C(=O)c1ccc(NC(=O)c2ccoc2C)cc1
InChIInChI=1S/C20H22N4O3/c1-4-24-11-10-21-18(24)13-23(3)20(26)15-5-7-16(8-6-15)22-19(25)17-9-12-27-14(17)2/h5-12H,4,13H2,1-3H3,(H,22,25)
InChIKeyHBHAEXOKCJCXJW-UHFFFAOYSA-N
XLogP3.33
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[4-[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]carbamoyl]phenyl]furan-3-carboxamide
CID 46994415
N-[(1-ethylimidazol-2-yl)methyl]-4-(3-methoxypyrazin-2-yl)-N-methylbenzamide
CID 119069160
3-[4-[(2-methylfuran-3-carbonyl)amino]phenyl]propanoic acid
CID 29261712
(2S)-N-[(1-ethylimidazol-2-yl)methyl]-N,2-dimethyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 126426582
N-(4-iodophenyl)-2-methylfuran-3-carboxamide
CID 903791
N-methyl-4-phenylmethoxy-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]benzamide
CID 56509317
butyl 4-[(2-methylfuran-3-carbonyl)amino]benzoate
CID 2163924
2-methyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]furan-3-carboxamide
CID 46421851
4-[4-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]carbamoyl]phenoxy]benzamide
CID 56551219
5-bromo-N-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]furan-3-carboxamide
CID 56509575
3-[4-[(2-methylfuran-3-carbonyl)amino]phenyl]butanoic acid
CID 104501824
N-[4-[methyl-[(2-methylphenyl)methyl]carbamoyl]phenyl]furan-2-carboxamide
CID 9379021

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1-ethylimidazol-2-yl)methyl-methylcarbamoyl]phenyl]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[4-[(1-ethylimidazol-2-yl)methyl-methylcarbamoyl]phenyl]-2-methylfuran-3-carboxamide (CID 46997029) is N-[4-[(1-ethylimidazol-2-yl)methyl-methylcarbamoyl]phenyl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[4-[(1-ethylimidazol-2-yl)methyl-methylcarbamoyl]phenyl]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[4-[(1-ethylimidazol-2-yl)methyl-methylcarbamoyl]phenyl]-2-methylfuran-3-carboxamide is CCn1ccnc1CN(C)C(=O)c1ccc(NC(=O)c2ccoc2C)cc1.
What is the InChIKey of N-[4-[(1-ethylimidazol-2-yl)methyl-methylcarbamoyl]phenyl]-2-methylfuran-3-carboxamide?
The InChIKey is HBHAEXOKCJCXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-4-24-11-10-21-18(24)13-23(3)20(26)15-5-7-16(8-6-15)22-19(25)17-9-12-27-14(17)2/h5-12H,4,13H2,1-3H3,(H,22,25).
What are the key properties of N-[4-[(1-ethylimidazol-2-yl)methyl-methylcarbamoyl]phenyl]-2-methylfuran-3-carboxamide?
N-[4-[(1-ethylimidazol-2-yl)methyl-methylcarbamoyl]phenyl]-2-methylfuran-3-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1-ethylimidazol-2-yl)methyl-methylcarbamoyl]phenyl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 46997029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).