N-[(4-chlorophenyl)-(2,4-dimethylphenyl)methyl]-2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethoxy]phenyl]acetamide

C30H31ClN2O3 — CID 71247963

IUPACN-[(4-chlorophenyl)-(2,4-dimethylphenyl)methyl]-2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethoxy]phenyl]acetamide
SMILESCc1ccc(C(NC(=O)Cc2ccc(OCCc3c(C)noc3C)cc2)c2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C30H31ClN2O3/c1-19-5-14-27(20(2)17-19)30(24-8-10-25(31)11-9-24)32-29(34)18-23-6-12-26(13-7-23)35-16-15-28-21(3)33-36-22(28)4/h5-14,17,30H,15-16,18H2,1-4H3,(H,32,34)
InChIKeyCBWWJWVHTZFNEP-UHFFFAOYSA-N
MW503.04 g/mol
LogP6.63
Rot. Bonds9

About N-[(4-chlorophenyl)-(2,4-dimethylphenyl)methyl]-2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethoxy]phenyl]acetamide

N-[(4-chlorophenyl)-(2,4-dimethylphenyl)methyl]-2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethoxy]phenyl]acetamide (PubChem CID 71247963) has the molecular formula C30H31ClN2O3 and a molecular weight of 503.04 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-(2,4-dimethylphenyl)methyl]-2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-(2,4-dimethylphenyl)methyl]-2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethoxy]phenyl]acetamide
PubChem CID71247963
Molecular FormulaC30H31ClN2O3
Molecular Weight503.04 g/mol
Exact Mass502.20
IUPAC NameN-[(4-chlorophenyl)-(2,4-dimethylphenyl)methyl]-2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethoxy]phenyl]acetamide
SMILESCc1ccc(C(NC(=O)Cc2ccc(OCCc3c(C)noc3C)cc2)c2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C30H31ClN2O3/c1-19-5-14-27(20(2)17-19)30(24-8-10-25(31)11-9-24)32-29(34)18-23-6-12-26(13-7-23)35-16-15-28-21(3)33-36-22(28)4/h5-14,17,30H,15-16,18H2,1-4H3,(H,32,34)
InChIKeyCBWWJWVHTZFNEP-UHFFFAOYSA-N
XLogP6.63
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.04
LogP ≤ 56.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[bis(4-methylphenyl)methyl]-2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethoxy]phenyl]acetamide
CID 71494295
N-[(4-chlorophenyl)-(2-methylphenyl)methyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide
CID 71493658
N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[4-[2-(2-methyl-3-pyridinyl)ethoxy]phenyl]acetamide
CID 71494462
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[phenyl-(4-propan-2-ylphenyl)methyl]acetamide
CID 71493816
N-[(R)-(4-chlorophenyl)-phenylmethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 41088769
N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[4-[(3-methyl-4-pyridinyl)methoxy]phenyl]acetamide
CID 90186375
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[1-(4-methylphenyl)propyl]acetamide
CID 112766082
N-[(4-chloro-2-methylphenyl)-phenylmethyl]-2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperazin-1-yl]acetamide
CID 71493334
N-(2,4-dichlorophenyl)-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide
CID 26115421
2-[4-[(3-ethyl-5-methyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[(2-methylphenyl)-phenylmethyl]acetamide
CID 71247898
N-[[2-(dimethylamino)phenyl]-phenylmethyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide
CID 71493503
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(2,5-dimethylphenyl)acetamide
CID 26500066

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-(2,4-dimethylphenyl)methyl]-2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethoxy]phenyl]acetamide?
The IUPAC name of N-[(4-chlorophenyl)-(2,4-dimethylphenyl)methyl]-2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethoxy]phenyl]acetamide (CID 71247963) is N-[(4-chlorophenyl)-(2,4-dimethylphenyl)methyl]-2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethoxy]phenyl]acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)-(2,4-dimethylphenyl)methyl]-2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethoxy]phenyl]acetamide?
The canonical SMILES for N-[(4-chlorophenyl)-(2,4-dimethylphenyl)methyl]-2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethoxy]phenyl]acetamide is Cc1ccc(C(NC(=O)Cc2ccc(OCCc3c(C)noc3C)cc2)c2ccc(Cl)cc2)c(C)c1.
What is the InChIKey of N-[(4-chlorophenyl)-(2,4-dimethylphenyl)methyl]-2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethoxy]phenyl]acetamide?
The InChIKey is CBWWJWVHTZFNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31ClN2O3/c1-19-5-14-27(20(2)17-19)30(24-8-10-25(31)11-9-24)32-29(34)18-23-6-12-26(13-7-23)35-16-15-28-21(3)33-36-22(28)4/h5-14,17,30H,15-16,18H2,1-4H3,(H,32,34).
What are the key properties of N-[(4-chlorophenyl)-(2,4-dimethylphenyl)methyl]-2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethoxy]phenyl]acetamide?
N-[(4-chlorophenyl)-(2,4-dimethylphenyl)methyl]-2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethoxy]phenyl]acetamide has a molecular weight of 503.04 g/mol, XLogP of 6.63, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-(2,4-dimethylphenyl)methyl]-2-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethoxy]phenyl]acetamide is sourced from PubChem (CID 71247963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).