2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-N-[(1R)-1-phenylethyl]acetamide

C21H26N2O2 — CID 9168111

IUPAC2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-N-[(1R)-1-phenylethyl]acetamide
SMILESC=CCOc1ccc(CN(C)CC(=O)N[C@H](C)c2ccccc2)cc1
InChIInChI=1S/C21H26N2O2/c1-4-14-25-20-12-10-18(11-13-20)15-23(3)16-21(24)22-17(2)19-8-6-5-7-9-19/h4-13,17H,1,14-16H2,2-3H3,(H,22,24)/t17-/m1/s1
InChIKeyWBSFJZQAUNDOCN-QGZVFWFLSA-N
MW338.45 g/mol
LogP3.56
Rot. Bonds9

About 2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-N-[(1R)-1-phenylethyl]acetamide

2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-N-[(1R)-1-phenylethyl]acetamide (PubChem CID 9168111) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-N-[(1R)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-N-[(1R)-1-phenylethyl]acetamide
PubChem CID9168111
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-N-[(1R)-1-phenylethyl]acetamide
SMILESC=CCOc1ccc(CN(C)CC(=O)N[C@H](C)c2ccccc2)cc1
InChIInChI=1S/C21H26N2O2/c1-4-14-25-20-12-10-18(11-13-20)15-23(3)16-21(24)22-17(2)19-8-6-5-7-9-19/h4-13,17H,1,14-16H2,2-3H3,(H,22,24)/t17-/m1/s1
InChIKeyWBSFJZQAUNDOCN-QGZVFWFLSA-N
XLogP3.56
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-bromophenyl)ethyl]-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]acetamide
CID 46801665
N-[1-(2-chlorophenyl)ethyl]-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]acetamide
CID 46801655
2-[benzyl(methyl)amino]-N-(1-phenylethyl)acetamide
CID 18078396
2-[(4-bromophenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide
CID 4876507
N-benzhydryl-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide
CID 8024029
2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-[(1R)-1-phenylethyl]acetamide
CID 2535329
2-[methyl(thiophen-3-ylmethyl)amino]-N-(1-phenylethyl)acetamide
CID 18197678
ethyl N-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]acetyl]carbamate
CID 9167602
2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-[(1S)-1-phenylethyl]acetamide
CID 8798523
2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9168228
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetamide
CID 9023731
2-[benzyl(methyl)amino]-N-propan-2-ylacetamide
CID 54808895

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-N-[(1R)-1-phenylethyl]acetamide?
The IUPAC name of 2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-N-[(1R)-1-phenylethyl]acetamide (CID 9168111) is 2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-N-[(1R)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-N-[(1R)-1-phenylethyl]acetamide?
The canonical SMILES for 2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-N-[(1R)-1-phenylethyl]acetamide is C=CCOc1ccc(CN(C)CC(=O)N[C@H](C)c2ccccc2)cc1.
What is the InChIKey of 2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-N-[(1R)-1-phenylethyl]acetamide?
The InChIKey is WBSFJZQAUNDOCN-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-4-14-25-20-12-10-18(11-13-20)15-23(3)16-21(24)22-17(2)19-8-6-5-7-9-19/h4-13,17H,1,14-16H2,2-3H3,(H,22,24)/t17-/m1/s1.
What are the key properties of 2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-N-[(1R)-1-phenylethyl]acetamide?
2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-N-[(1R)-1-phenylethyl]acetamide has a molecular weight of 338.45 g/mol, XLogP of 3.56, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-N-[(1R)-1-phenylethyl]acetamide is sourced from PubChem (CID 9168111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).