N-cyclopropyl-4-[[cyclopropyl-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]methyl]benzamide

C21H25N3O3 — CID 33342953

IUPACN-cyclopropyl-4-[[cyclopropyl-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]methyl]benzamide
SMILESCc1noc(C)c1CC(=O)N(Cc1ccc(C(=O)NC2CC2)cc1)C1CC1
InChIInChI=1S/C21H25N3O3/c1-13-19(14(2)27-23-13)11-20(25)24(18-9-10-18)12-15-3-5-16(6-4-15)21(26)22-17-7-8-17/h3-6,17-18H,7-12H2,1-2H3,(H,22,26)
InChIKeyVOOPKKHGOUZQPQ-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.92
Rot. Bonds7

About N-cyclopropyl-4-[[cyclopropyl-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]methyl]benzamide

N-cyclopropyl-4-[[cyclopropyl-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]methyl]benzamide (PubChem CID 33342953) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-cyclopropyl-4-[[cyclopropyl-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[cyclopropyl-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]methyl]benzamide
PubChem CID33342953
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC NameN-cyclopropyl-4-[[cyclopropyl-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]methyl]benzamide
SMILESCc1noc(C)c1CC(=O)N(Cc1ccc(C(=O)NC2CC2)cc1)C1CC1
InChIInChI=1S/C21H25N3O3/c1-13-19(14(2)27-23-13)11-20(25)24(18-9-10-18)12-15-3-5-16(6-4-15)21(26)22-17-7-8-17/h3-6,17-18H,7-12H2,1-2H3,(H,22,26)
InChIKeyVOOPKKHGOUZQPQ-UHFFFAOYSA-N
XLogP2.92
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-4-[[cyclopropyl(propanoyl)amino]methyl]benzamide
CID 33341018
N-cyclopropyl-4-[[cyclopropyl-[2-(4-fluorophenyl)acetyl]amino]methyl]benzamide
CID 34178957
N-cyclopropyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 30832396
4-[[(2-cyclohexylacetyl)-cyclopropylamino]methyl]-N-cyclopropylbenzamide
CID 46565694
N-cyclopropyl-4-[[cyclopropyl-[2-(4-pyrazol-1-ylphenyl)acetyl]amino]methyl]benzamide
CID 46472604
4-[[[2-(cyclopropanecarbonylamino)acetyl]-cyclopropylamino]methyl]-N-cyclopropylbenzamide
CID 55634418
N-cyclopropyl-4-[[cyclopropyl-[2-(2-nitrophenyl)acetyl]amino]methyl]benzamide
CID 33342098
N-cyclopropyl-4-[[cyclopropyl-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]methyl]benzamide
CID 34179087
4-[[[2-(4-chloro-2-methylphenoxy)acetyl]-cyclopropylamino]methyl]-N-cyclopropylbenzamide
CID 33341817
N-cyclopropyl-4-[[cyclopropyl-[2-(4-methoxyphenoxy)acetyl]amino]methyl]benzamide
CID 33341644
N-cyclopropyl-4-[[cyclopropyl(3-phenylbutanoyl)amino]methyl]benzamide
CID 134062285
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
CID 30855376

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[cyclopropyl-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]methyl]benzamide?
The IUPAC name of N-cyclopropyl-4-[[cyclopropyl-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]methyl]benzamide (CID 33342953) is N-cyclopropyl-4-[[cyclopropyl-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]methyl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[[cyclopropyl-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]methyl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[[cyclopropyl-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]methyl]benzamide is Cc1noc(C)c1CC(=O)N(Cc1ccc(C(=O)NC2CC2)cc1)C1CC1.
What is the InChIKey of N-cyclopropyl-4-[[cyclopropyl-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]methyl]benzamide?
The InChIKey is VOOPKKHGOUZQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-13-19(14(2)27-23-13)11-20(25)24(18-9-10-18)12-15-3-5-16(6-4-15)21(26)22-17-7-8-17/h3-6,17-18H,7-12H2,1-2H3,(H,22,26).
What are the key properties of N-cyclopropyl-4-[[cyclopropyl-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]methyl]benzamide?
N-cyclopropyl-4-[[cyclopropyl-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]methyl]benzamide has a molecular weight of 367.45 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[cyclopropyl-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]methyl]benzamide is sourced from PubChem (CID 33342953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).