N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide

C27H35N3O4 — CID 43045627

IUPACN-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide
SMILESCCN(CC)C(CNC(=O)Cc1ccc(OCc2c(C)noc2C)cc1)c1cccc(OC)c1
InChIInChI=1S/C27H35N3O4/c1-6-30(7-2)26(22-9-8-10-24(16-22)32-5)17-28-27(31)15-21-11-13-23(14-12-21)33-18-25-19(3)29-34-20(25)4/h8-14,16,26H,6-7,15,17-18H2,1-5H3,(H,28,31)
InChIKeyCGKUUKYTNZAPLR-UHFFFAOYSA-N
MW465.59 g/mol
LogP4.62
Rot. Bonds12

About N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide

N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide (PubChem CID 43045627) has the molecular formula C27H35N3O4 and a molecular weight of 465.59 g/mol. Its IUPAC name is N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide
PubChem CID43045627
Molecular FormulaC27H35N3O4
Molecular Weight465.59 g/mol
Exact Mass465.26
IUPAC NameN-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide
SMILESCCN(CC)C(CNC(=O)Cc1ccc(OCc2c(C)noc2C)cc1)c1cccc(OC)c1
InChIInChI=1S/C27H35N3O4/c1-6-30(7-2)26(22-9-8-10-24(16-22)32-5)17-28-27(31)15-21-11-13-23(14-12-21)33-18-25-19(3)29-34-20(25)4/h8-14,16,26H,6-7,15,17-18H2,1-5H3,(H,28,31)
InChIKeyCGKUUKYTNZAPLR-UHFFFAOYSA-N
XLogP4.62
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.59
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 134056414
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(3-methoxy-4-methylphenyl)acetamide
CID 24646521
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide
CID 30599068
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 55470741
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-pyrimidin-5-ylacetamide
CID 119039953
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(4-sulfamoylphenyl)acetamide
CID 56538689
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]propanamide
CID 134032738
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-4-(pyridin-4-ylmethoxy)benzamide
CID 43054752
N-(3,5-dimethoxyphenyl)-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide
CID 7960814
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-(2-morpholin-4-yl-2-phenylethyl)acetamide
CID 43057556
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 134032752
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-methoxyacetamide
CID 30796971

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide?
The IUPAC name of N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide (CID 43045627) is N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide.
What is the SMILES notation for N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide?
The canonical SMILES for N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide is CCN(CC)C(CNC(=O)Cc1ccc(OCc2c(C)noc2C)cc1)c1cccc(OC)c1.
What is the InChIKey of N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide?
The InChIKey is CGKUUKYTNZAPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O4/c1-6-30(7-2)26(22-9-8-10-24(16-22)32-5)17-28-27(31)15-21-11-13-23(14-12-21)33-18-25-19(3)29-34-20(25)4/h8-14,16,26H,6-7,15,17-18H2,1-5H3,(H,28,31).
What are the key properties of N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide?
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide has a molecular weight of 465.59 g/mol, XLogP of 4.62, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide is sourced from PubChem (CID 43045627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).