N-[1-oxo-1-[3-[(2-propan-2-ylimidazol-1-yl)methyl]anilino]propan-2-yl]furan-3-carboxamide

C21H24N4O3 — CID 55859737

IUPACN-[1-oxo-1-[3-[(2-propan-2-ylimidazol-1-yl)methyl]anilino]propan-2-yl]furan-3-carboxamide
SMILESCC(NC(=O)c1ccoc1)C(=O)Nc1cccc(Cn2ccnc2C(C)C)c1
InChIInChI=1S/C21H24N4O3/c1-14(2)19-22-8-9-25(19)12-16-5-4-6-18(11-16)24-20(26)15(3)23-21(27)17-7-10-28-13-17/h4-11,13-15H,12H2,1-3H3,(H,23,27)(H,24,26)
InChIKeyKWTFRWSGXHABAH-UHFFFAOYSA-N
MW380.45 g/mol
LogP3.40
Rot. Bonds7

About N-[1-oxo-1-[3-[(2-propan-2-ylimidazol-1-yl)methyl]anilino]propan-2-yl]furan-3-carboxamide

N-[1-oxo-1-[3-[(2-propan-2-ylimidazol-1-yl)methyl]anilino]propan-2-yl]furan-3-carboxamide (PubChem CID 55859737) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-[1-oxo-1-[3-[(2-propan-2-ylimidazol-1-yl)methyl]anilino]propan-2-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[1-oxo-1-[3-[(2-propan-2-ylimidazol-1-yl)methyl]anilino]propan-2-yl]furan-3-carboxamide
PubChem CID55859737
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC NameN-[1-oxo-1-[3-[(2-propan-2-ylimidazol-1-yl)methyl]anilino]propan-2-yl]furan-3-carboxamide
SMILESCC(NC(=O)c1ccoc1)C(=O)Nc1cccc(Cn2ccnc2C(C)C)c1
InChIInChI=1S/C21H24N4O3/c1-14(2)19-22-8-9-25(19)12-16-5-4-6-18(11-16)24-20(26)15(3)23-21(27)17-7-10-28-13-17/h4-11,13-15H,12H2,1-3H3,(H,23,27)(H,24,26)
InChIKeyKWTFRWSGXHABAH-UHFFFAOYSA-N
XLogP3.40
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-amino-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]propanamide;dihydrochloride
CID 119855817
N-[(2S)-1-[3-(methoxymethyl)anilino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 94032624
(2S)-2-amino-4-methyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]pentanamide
CID 119855852
2-(methylamino)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide
CID 120703872
N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]naphthalene-1-carboxamide
CID 55858949
2,3-dimethyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]quinoxaline-6-carboxamide
CID 55857928
N-[1-[3-(furan-2-ylmethoxymethyl)anilino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 55932538
2,4-dichloro-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]benzamide
CID 55859713
2-(2-methoxyethylamino)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide;dihydrochloride
CID 119855845
1-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-3-[1-(1H-pyrazol-4-yl)ethyl]urea
CID 71908781
2-(1-hydroxycyclopentyl)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide
CID 111430663
3-(4-fluorophenyl)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]propanamide
CID 55858307

Frequently Asked Questions

What is the IUPAC name of N-[1-oxo-1-[3-[(2-propan-2-ylimidazol-1-yl)methyl]anilino]propan-2-yl]furan-3-carboxamide?
The IUPAC name of N-[1-oxo-1-[3-[(2-propan-2-ylimidazol-1-yl)methyl]anilino]propan-2-yl]furan-3-carboxamide (CID 55859737) is N-[1-oxo-1-[3-[(2-propan-2-ylimidazol-1-yl)methyl]anilino]propan-2-yl]furan-3-carboxamide.
What is the SMILES notation for N-[1-oxo-1-[3-[(2-propan-2-ylimidazol-1-yl)methyl]anilino]propan-2-yl]furan-3-carboxamide?
The canonical SMILES for N-[1-oxo-1-[3-[(2-propan-2-ylimidazol-1-yl)methyl]anilino]propan-2-yl]furan-3-carboxamide is CC(NC(=O)c1ccoc1)C(=O)Nc1cccc(Cn2ccnc2C(C)C)c1.
What is the InChIKey of N-[1-oxo-1-[3-[(2-propan-2-ylimidazol-1-yl)methyl]anilino]propan-2-yl]furan-3-carboxamide?
The InChIKey is KWTFRWSGXHABAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-14(2)19-22-8-9-25(19)12-16-5-4-6-18(11-16)24-20(26)15(3)23-21(27)17-7-10-28-13-17/h4-11,13-15H,12H2,1-3H3,(H,23,27)(H,24,26).
What are the key properties of N-[1-oxo-1-[3-[(2-propan-2-ylimidazol-1-yl)methyl]anilino]propan-2-yl]furan-3-carboxamide?
N-[1-oxo-1-[3-[(2-propan-2-ylimidazol-1-yl)methyl]anilino]propan-2-yl]furan-3-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 3.40, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-oxo-1-[3-[(2-propan-2-ylimidazol-1-yl)methyl]anilino]propan-2-yl]furan-3-carboxamide is sourced from PubChem (CID 55859737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).