N-cyclohexyl-4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-3-methylbenzamide

C22H29N3O3 — CID 55878660

IUPACN-cyclohexyl-4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-3-methylbenzamide
SMILESCc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)CCc1c(C)noc1C
InChIInChI=1S/C22H29N3O3/c1-14-13-17(22(27)23-18-7-5-4-6-8-18)9-11-20(14)24-21(26)12-10-19-15(2)25-28-16(19)3/h9,11,13,18H,4-8,10,12H2,1-3H3,(H,23,27)(H,24,26)
InChIKeyMPDHGTWQUYZUOQ-UHFFFAOYSA-N
MW383.49 g/mol
LogP4.23
Rot. Bonds6

About N-cyclohexyl-4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-3-methylbenzamide

N-cyclohexyl-4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-3-methylbenzamide (PubChem CID 55878660) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is N-cyclohexyl-4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-3-methylbenzamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-3-methylbenzamide
PubChem CID55878660
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC NameN-cyclohexyl-4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-3-methylbenzamide
SMILESCc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)CCc1c(C)noc1C
InChIInChI=1S/C22H29N3O3/c1-14-13-17(22(27)23-18-7-5-4-6-8-18)9-11-20(14)24-21(26)12-10-19-15(2)25-28-16(19)3/h9,11,13,18H,4-8,10,12H2,1-3H3,(H,23,27)(H,24,26)
InChIKeyMPDHGTWQUYZUOQ-UHFFFAOYSA-N
XLogP4.23
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-3-methylbenzamide?
The IUPAC name of N-cyclohexyl-4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-3-methylbenzamide (CID 55878660) is N-cyclohexyl-4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-3-methylbenzamide.
What is the SMILES notation for N-cyclohexyl-4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-3-methylbenzamide?
The canonical SMILES for N-cyclohexyl-4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-3-methylbenzamide is Cc1cc(C(=O)NC2CCCCC2)ccc1NC(=O)CCc1c(C)noc1C.
What is the InChIKey of N-cyclohexyl-4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-3-methylbenzamide?
The InChIKey is MPDHGTWQUYZUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-14-13-17(22(27)23-18-7-5-4-6-8-18)9-11-20(14)24-21(26)12-10-19-15(2)25-28-16(19)3/h9,11,13,18H,4-8,10,12H2,1-3H3,(H,23,27)(H,24,26).
What are the key properties of N-cyclohexyl-4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-3-methylbenzamide?
N-cyclohexyl-4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-3-methylbenzamide has a molecular weight of 383.49 g/mol, XLogP of 4.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-3-methylbenzamide is sourced from PubChem (CID 55878660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).