N-(1-phenylethyl)-2-[(4-propan-2-yloxyphenyl)methylamino]acetamide

C20H26N2O2 — CID 54845447

IUPACN-(1-phenylethyl)-2-[(4-propan-2-yloxyphenyl)methylamino]acetamide
SMILESCC(C)Oc1ccc(CNCC(=O)NC(C)c2ccccc2)cc1
InChIInChI=1S/C20H26N2O2/c1-15(2)24-19-11-9-17(10-12-19)13-21-14-20(23)22-16(3)18-7-5-4-6-8-18/h4-12,15-16,21H,13-14H2,1-3H3,(H,22,23)
InChIKeyIMHPFYOHDUPVSQ-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.44
Rot. Bonds8

About N-(1-phenylethyl)-2-[(4-propan-2-yloxyphenyl)methylamino]acetamide

N-(1-phenylethyl)-2-[(4-propan-2-yloxyphenyl)methylamino]acetamide (PubChem CID 54845447) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-(1-phenylethyl)-2-[(4-propan-2-yloxyphenyl)methylamino]acetamide.

Molecular Properties

Compound NameN-(1-phenylethyl)-2-[(4-propan-2-yloxyphenyl)methylamino]acetamide
PubChem CID54845447
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC NameN-(1-phenylethyl)-2-[(4-propan-2-yloxyphenyl)methylamino]acetamide
SMILESCC(C)Oc1ccc(CNCC(=O)NC(C)c2ccccc2)cc1
InChIInChI=1S/C20H26N2O2/c1-15(2)24-19-11-9-17(10-12-19)13-21-14-20(23)22-16(3)18-7-5-4-6-8-18/h4-12,15-16,21H,13-14H2,1-3H3,(H,22,23)
InChIKeyIMHPFYOHDUPVSQ-UHFFFAOYSA-N
XLogP3.44
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-methylphenyl)methylamino]-N-(1-phenylethyl)acetamide
CID 108997021
N-(2,6-dimethylphenyl)-2-[(4-propan-2-yloxyphenyl)methylamino]acetamide
CID 54845330
N-(2-chlorophenyl)-2-[(4-propan-2-yloxyphenyl)methylamino]acetamide
CID 54845154
2-[(4-propan-2-yloxyphenyl)methylamino]acetamide
CID 43754691
2-[(4-methoxyphenyl)methylamino]-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 54838126
2-(4-methoxyphenyl)-N-[1-(4-propan-2-yloxyphenyl)ethyl]acetamide
CID 134060669
2-phenylsulfanyl-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 43909294
4-oxo-4-phenyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]butanamide
CID 134045511
3-amino-N-[1-(4-propan-2-yloxyphenyl)ethyl]propanamide;hydrochloride
CID 119285649
2-[2-oxo-2-(1-phenylethylamino)ethoxy]-N-(1-phenylethyl)acetamide
CID 85140182
3-(N-acetyl-4-propan-2-yloxyanilino)-N-(1-phenylethyl)propanamide
CID 113129840
2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-[(1R)-1-phenylethyl]acetamide
CID 30257105

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-2-[(4-propan-2-yloxyphenyl)methylamino]acetamide?
The IUPAC name of N-(1-phenylethyl)-2-[(4-propan-2-yloxyphenyl)methylamino]acetamide (CID 54845447) is N-(1-phenylethyl)-2-[(4-propan-2-yloxyphenyl)methylamino]acetamide.
What is the SMILES notation for N-(1-phenylethyl)-2-[(4-propan-2-yloxyphenyl)methylamino]acetamide?
The canonical SMILES for N-(1-phenylethyl)-2-[(4-propan-2-yloxyphenyl)methylamino]acetamide is CC(C)Oc1ccc(CNCC(=O)NC(C)c2ccccc2)cc1.
What is the InChIKey of N-(1-phenylethyl)-2-[(4-propan-2-yloxyphenyl)methylamino]acetamide?
The InChIKey is IMHPFYOHDUPVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-15(2)24-19-11-9-17(10-12-19)13-21-14-20(23)22-16(3)18-7-5-4-6-8-18/h4-12,15-16,21H,13-14H2,1-3H3,(H,22,23).
What are the key properties of N-(1-phenylethyl)-2-[(4-propan-2-yloxyphenyl)methylamino]acetamide?
N-(1-phenylethyl)-2-[(4-propan-2-yloxyphenyl)methylamino]acetamide has a molecular weight of 326.44 g/mol, XLogP of 3.44, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-2-[(4-propan-2-yloxyphenyl)methylamino]acetamide is sourced from PubChem (CID 54845447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).