N-[2-(dimethylamino)-2-phenylethyl]-3-(3-methylphenoxy)propanamide

C20H26N2O2 — CID 3000200

IUPACN-[2-(dimethylamino)-2-phenylethyl]-3-(3-methylphenoxy)propanamide
SMILESCc1cccc(OCCC(=O)NCC(c2ccccc2)N(C)C)c1
InChIInChI=1S/C20H26N2O2/c1-16-8-7-11-18(14-16)24-13-12-20(23)21-15-19(22(2)3)17-9-5-4-6-10-17/h4-11,14,19H,12-13,15H2,1-3H3,(H,21,23)
InChIKeyOGACXSNUUYOYPR-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.18
Rot. Bonds8

About N-[2-(dimethylamino)-2-phenylethyl]-3-(3-methylphenoxy)propanamide

N-[2-(dimethylamino)-2-phenylethyl]-3-(3-methylphenoxy)propanamide (PubChem CID 3000200) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-phenylethyl]-3-(3-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-phenylethyl]-3-(3-methylphenoxy)propanamide
PubChem CID3000200
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC NameN-[2-(dimethylamino)-2-phenylethyl]-3-(3-methylphenoxy)propanamide
SMILESCc1cccc(OCCC(=O)NCC(c2ccccc2)N(C)C)c1
InChIInChI=1S/C20H26N2O2/c1-16-8-7-11-18(14-16)24-13-12-20(23)21-15-19(22(2)3)17-9-5-4-6-10-17/h4-11,14,19H,12-13,15H2,1-3H3,(H,21,23)
InChIKeyOGACXSNUUYOYPR-UHFFFAOYSA-N
XLogP3.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-phenylethyl]-3-(3-methylphenoxy)propanamide?
The IUPAC name of N-[2-(dimethylamino)-2-phenylethyl]-3-(3-methylphenoxy)propanamide (CID 3000200) is N-[2-(dimethylamino)-2-phenylethyl]-3-(3-methylphenoxy)propanamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-phenylethyl]-3-(3-methylphenoxy)propanamide?
The canonical SMILES for N-[2-(dimethylamino)-2-phenylethyl]-3-(3-methylphenoxy)propanamide is Cc1cccc(OCCC(=O)NCC(c2ccccc2)N(C)C)c1.
What is the InChIKey of N-[2-(dimethylamino)-2-phenylethyl]-3-(3-methylphenoxy)propanamide?
The InChIKey is OGACXSNUUYOYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-16-8-7-11-18(14-16)24-13-12-20(23)21-15-19(22(2)3)17-9-5-4-6-10-17/h4-11,14,19H,12-13,15H2,1-3H3,(H,21,23).
What are the key properties of N-[2-(dimethylamino)-2-phenylethyl]-3-(3-methylphenoxy)propanamide?
N-[2-(dimethylamino)-2-phenylethyl]-3-(3-methylphenoxy)propanamide has a molecular weight of 326.44 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-phenylethyl]-3-(3-methylphenoxy)propanamide is sourced from PubChem (CID 3000200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).