N-[1-[3-[(dimethylamino)methyl]anilino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide

C19H25N3O3 — CID 86931910

IUPACN-[1-[3-[(dimethylamino)methyl]anilino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
SMILESCC(C)C(NC(=O)c1ccco1)C(=O)Nc1cccc(CN(C)C)c1
InChIInChI=1S/C19H25N3O3/c1-13(2)17(21-18(23)16-9-6-10-25-16)19(24)20-15-8-5-7-14(11-15)12-22(3)4/h5-11,13,17H,12H2,1-4H3,(H,20,24)(H,21,23)
InChIKeyCQISYPZOWJFLQE-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.73
Rot. Bonds7

About N-[1-[3-[(dimethylamino)methyl]anilino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide

N-[1-[3-[(dimethylamino)methyl]anilino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide (PubChem CID 86931910) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[1-[3-[(dimethylamino)methyl]anilino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-[3-[(dimethylamino)methyl]anilino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
PubChem CID86931910
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC NameN-[1-[3-[(dimethylamino)methyl]anilino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
SMILESCC(C)C(NC(=O)c1ccco1)C(=O)Nc1cccc(CN(C)C)c1
InChIInChI=1S/C19H25N3O3/c1-13(2)17(21-18(23)16-9-6-10-25-16)19(24)20-15-8-5-7-14(11-15)12-22(3)4/h5-11,13,17H,12H2,1-4H3,(H,20,24)(H,21,23)
InChIKeyCQISYPZOWJFLQE-UHFFFAOYSA-N
XLogP2.73
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-[3-[(dimethylamino)methyl]anilino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(3-hydroxyanilino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 78783328
2-methoxyethyl N-[3-[[2-(furan-2-carbonylamino)-3-methylbutanoyl]amino]phenyl]carbamate
CID 47740738
N-[3-methyl-1-oxo-1-[3-(thiomorpholin-4-ylmethyl)anilino]butan-2-yl]furan-2-carboxamide
CID 49005878
N-[(2S)-3-methyl-1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]furan-2-carboxamide
CID 9138688
N-[(2S)-3-methyl-1-oxo-1-(4-propan-2-ylanilino)butan-2-yl]furan-2-carboxamide
CID 7611111
N-[1-[3-(dimethylcarbamoyl)anilino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 43043446
N-[(2S)-1-[3-(tert-butylsulfamoyl)anilino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 9371831
N-[1-[3-(butylsulfamoyl)anilino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 46510440
(2S)-2-amino-N-[3-[(dimethylamino)methyl]phenyl]propanamide
CID 61145682
N-[(2S)-1-[4-(cyanomethyl)anilino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 9259995
2-amino-N-[3-[(dimethylamino)methyl]phenyl]-3-methylbutanamide;dihydrochloride
CID 119853134
N-[1-(3-iodoanilino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 24664556

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-[(dimethylamino)methyl]anilino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[1-[3-[(dimethylamino)methyl]anilino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide (CID 86931910) is N-[1-[3-[(dimethylamino)methyl]anilino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-[3-[(dimethylamino)methyl]anilino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-[3-[(dimethylamino)methyl]anilino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide is CC(C)C(NC(=O)c1ccco1)C(=O)Nc1cccc(CN(C)C)c1.
What is the InChIKey of N-[1-[3-[(dimethylamino)methyl]anilino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide?
The InChIKey is CQISYPZOWJFLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-13(2)17(21-18(23)16-9-6-10-25-16)19(24)20-15-8-5-7-14(11-15)12-22(3)4/h5-11,13,17H,12H2,1-4H3,(H,20,24)(H,21,23).
What are the key properties of N-[1-[3-[(dimethylamino)methyl]anilino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide?
N-[1-[3-[(dimethylamino)methyl]anilino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-[(dimethylamino)methyl]anilino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 86931910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).