N-[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-cyclopropyl-3,5-dimethyl-1,2-oxazole-4-carboxamide

C24H31N3O3 — CID 3231439

IUPACN-[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-cyclopropyl-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1ccc(C(C(=O)NC2CCCCC2)N(C(=O)c2c(C)noc2C)C2CC2)cc1
InChIInChI=1S/C24H31N3O3/c1-15-9-11-18(12-10-15)22(23(28)25-19-7-5-4-6-8-19)27(20-13-14-20)24(29)21-16(2)26-30-17(21)3/h9-12,19-20,22H,4-8,13-14H2,1-3H3,(H,25,28)
InChIKeyVCTRGKIKGFIHHQ-UHFFFAOYSA-N
MW409.53 g/mol
LogP4.39
Rot. Bonds6

About N-[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-cyclopropyl-3,5-dimethyl-1,2-oxazole-4-carboxamide

N-[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-cyclopropyl-3,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 3231439) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is N-[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-cyclopropyl-3,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-cyclopropyl-3,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID3231439
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC NameN-[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-cyclopropyl-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1ccc(C(C(=O)NC2CCCCC2)N(C(=O)c2c(C)noc2C)C2CC2)cc1
InChIInChI=1S/C24H31N3O3/c1-15-9-11-18(12-10-15)22(23(28)25-19-7-5-4-6-8-19)27(20-13-14-20)24(29)21-16(2)26-30-17(21)3/h9-12,19-20,22H,4-8,13-14H2,1-3H3,(H,25,28)
InChIKeyVCTRGKIKGFIHHQ-UHFFFAOYSA-N
XLogP4.39
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-cyclopropyl-3,5-dimethyl-1,2-oxazole-4-carboxamide with MolForge

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Related Compounds

N-[2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-3,5-dimethyl-N-phenyl-1,2-oxazole-4-carboxamide
CID 3210627
N-[(1R)-2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-cyclopropylfuran-2-carboxamide
CID 1441726
N-[(1S)-2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide
CID 1467718
N-[(1S)-2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-cyclopentylfuran-2-carboxamide
CID 7130291
N-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-3,5-dimethyl-N-phenyl-1,2-oxazole-4-carboxamide
CID 3210626
2-[(2-chloroacetyl)-cyclopentylamino]-N-cyclohexyl-2-(4-methylphenyl)acetamide
CID 4276966
[(1R)-2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 1455054
N-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-cyclopropyl-1H-pyrazole-5-carboxamide
CID 3900369
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 7549693
N-[2-(cyclopentylamino)-1-[4-(dimethylamino)phenyl]-2-oxoethyl]-N-cyclopropylfuran-2-carboxamide
CID 24792687
tert-butyl N-[1-[cyclobutyl-[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamate
CID 18034813
N-[2-(cyclohexylamino)-1-(4-ethylphenyl)-2-oxoethyl]-N-cyclopropylthiadiazole-4-carboxamide
CID 3219469

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-cyclopropyl-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-cyclopropyl-3,5-dimethyl-1,2-oxazole-4-carboxamide (CID 3231439) is N-[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-cyclopropyl-3,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-cyclopropyl-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-cyclopropyl-3,5-dimethyl-1,2-oxazole-4-carboxamide is Cc1ccc(C(C(=O)NC2CCCCC2)N(C(=O)c2c(C)noc2C)C2CC2)cc1.
What is the InChIKey of N-[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-cyclopropyl-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is VCTRGKIKGFIHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-15-9-11-18(12-10-15)22(23(28)25-19-7-5-4-6-8-19)27(20-13-14-20)24(29)21-16(2)26-30-17(21)3/h9-12,19-20,22H,4-8,13-14H2,1-3H3,(H,25,28).
What are the key properties of N-[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-cyclopropyl-3,5-dimethyl-1,2-oxazole-4-carboxamide?
N-[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-cyclopropyl-3,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 409.53 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-cyclopropyl-3,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 3231439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).