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

C21H31N3O3 — CID 134056414

IUPACN-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
SMILESCCN(CC)C(CNC(=O)CCc1c(C)noc1C)c1cccc(OC)c1
InChIInChI=1S/C21H31N3O3/c1-6-24(7-2)20(17-9-8-10-18(13-17)26-5)14-22-21(25)12-11-19-15(3)23-27-16(19)4/h8-10,13,20H,6-7,11-12,14H2,1-5H3,(H,22,25)
InChIKeyYBYLQNICZONOAI-UHFFFAOYSA-N
MW373.50 g/mol
LogP3.43
Rot. Bonds10

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

N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide (PubChem CID 134056414) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
PubChem CID134056414
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC NameN-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
SMILESCCN(CC)C(CNC(=O)CCc1c(C)noc1C)c1cccc(OC)c1
InChIInChI=1S/C21H31N3O3/c1-6-24(7-2)20(17-9-8-10-18(13-17)26-5)14-22-21(25)12-11-19-15(3)23-27-16(19)4/h8-10,13,20H,6-7,11-12,14H2,1-5H3,(H,22,25)
InChIKeyYBYLQNICZONOAI-UHFFFAOYSA-N
XLogP3.43
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetamide
CID 43045627
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]propanamide
CID 134032738
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(3-methoxy-4-methylphenyl)acetamide
CID 24646521
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-pyrimidin-5-ylacetamide
CID 119039953
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 31703237
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-(4-ethylphenyl)propanamide
CID 43044979
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 134032752
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 55470741
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 51283227
2-(1,3-benzothiazol-2-ylmethoxy)-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]acetamide
CID 24646425
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 18132053
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-methoxy-2-(2-methylphenyl)ethyl]propanamide
CID 90598726

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide?
The IUPAC name of N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide (CID 134056414) is N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide.
What is the SMILES notation for N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide?
The canonical SMILES for N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide is CCN(CC)C(CNC(=O)CCc1c(C)noc1C)c1cccc(OC)c1.
What is the InChIKey of N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide?
The InChIKey is YBYLQNICZONOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-6-24(7-2)20(17-9-8-10-18(13-17)26-5)14-22-21(25)12-11-19-15(3)23-27-16(19)4/h8-10,13,20H,6-7,11-12,14H2,1-5H3,(H,22,25).
What are the key properties of N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide?
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide has a molecular weight of 373.50 g/mol, XLogP of 3.43, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide is sourced from PubChem (CID 134056414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).