N-[1-(3-imidazol-1-ylpropylamino)-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide

C19H26N4O2 — CID 51155778

IUPACN-[1-(3-imidazol-1-ylpropylamino)-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC(C(=O)NCCCn1ccnc1)C(C)C
InChIInChI=1S/C19H26N4O2/c1-14(2)17(22-18(24)16-8-5-4-7-15(16)3)19(25)21-9-6-11-23-12-10-20-13-23/h4-5,7-8,10,12-14,17H,6,9,11H2,1-3H3,(H,21,25)(H,22,24)
InChIKeyVFBBIXDLTULBJD-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.15
Rot. Bonds8

About N-[1-(3-imidazol-1-ylpropylamino)-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide

N-[1-(3-imidazol-1-ylpropylamino)-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide (PubChem CID 51155778) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[1-(3-imidazol-1-ylpropylamino)-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-(3-imidazol-1-ylpropylamino)-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
PubChem CID51155778
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-[1-(3-imidazol-1-ylpropylamino)-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC(C(=O)NCCCn1ccnc1)C(C)C
InChIInChI=1S/C19H26N4O2/c1-14(2)17(22-18(24)16-8-5-4-7-15(16)3)19(25)21-9-6-11-23-12-10-20-13-23/h4-5,7-8,10,12-14,17H,6,9,11H2,1-3H3,(H,21,25)(H,22,24)
InChIKeyVFBBIXDLTULBJD-UHFFFAOYSA-N
XLogP2.15
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-imidazol-1-ylpropyl)-2,3-dimethylbenzamide
CID 3274730
2-methyl-N-[3-methyl-1-oxo-1-[3-(4-phenylpiperazin-1-yl)propylamino]butan-2-yl]benzamide
CID 55638967
2-methyl-N-[3-methyl-1-[3-(2-methylpiperidin-1-yl)propylamino]-1-oxobutan-2-yl]benzamide
CID 51221514
N-[(2S,3R)-1-(3-imidazol-1-ylpropylamino)-3-methyl-1-oxopentan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide
CID 40830903
N-[(2R,3S)-1-(3-imidazol-1-ylpropylamino)-3-methyl-1-oxopentan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide
CID 40830906
2-methyl-N-[(2S)-3-methyl-1-oxo-1-(pyridin-4-ylamino)butan-2-yl]benzamide
CID 30157647
5-bromo-N-(3-imidazol-1-ylpropyl)-2-methylbenzamide
CID 65307454
N-(3-imidazol-1-ylpropyl)-2-methyl-5-sulfanylbenzamide
CID 107022178
3-imidazol-1-yl-N-[(2-methylphenyl)methyl]propan-1-amine;oxalic acid
CID 17052939
2-(dimethylamino)-N-(3-imidazol-1-ylpropyl)benzamide
CID 110463562
N-[1-[[2-(imidazol-1-ylmethyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55475580
2-chloro-N-(3-imidazol-1-ylpropyl)-2-phenylacetamide
CID 43243129

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-imidazol-1-ylpropylamino)-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide?
The IUPAC name of N-[1-(3-imidazol-1-ylpropylamino)-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide (CID 51155778) is N-[1-(3-imidazol-1-ylpropylamino)-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide.
What is the SMILES notation for N-[1-(3-imidazol-1-ylpropylamino)-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide?
The canonical SMILES for N-[1-(3-imidazol-1-ylpropylamino)-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide is Cc1ccccc1C(=O)NC(C(=O)NCCCn1ccnc1)C(C)C.
What is the InChIKey of N-[1-(3-imidazol-1-ylpropylamino)-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide?
The InChIKey is VFBBIXDLTULBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-14(2)17(22-18(24)16-8-5-4-7-15(16)3)19(25)21-9-6-11-23-12-10-20-13-23/h4-5,7-8,10,12-14,17H,6,9,11H2,1-3H3,(H,21,25)(H,22,24).
What are the key properties of N-[1-(3-imidazol-1-ylpropylamino)-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide?
N-[1-(3-imidazol-1-ylpropylamino)-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide has a molecular weight of 342.44 g/mol, XLogP of 2.15, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-imidazol-1-ylpropylamino)-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide is sourced from PubChem (CID 51155778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).