2-[2-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethoxy]benzamide

C21H26N2O3 — CID 7283926

IUPAC2-[2-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethoxy]benzamide
SMILESCC(C)Cc1ccc([C@@H](C)NC(=O)COc2ccccc2C(N)=O)cc1
InChIInChI=1S/C21H26N2O3/c1-14(2)12-16-8-10-17(11-9-16)15(3)23-20(24)13-26-19-7-5-4-6-18(19)21(22)25/h4-11,14-15H,12-13H2,1-3H3,(H2,22,25)(H,23,24)/t15-/m1/s1
InChIKeyADGFMNAIRACVPN-OAHLLOKOSA-N
MW354.45 g/mol
LogP3.24
Rot. Bonds8

About 2-[2-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethoxy]benzamide

2-[2-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethoxy]benzamide (PubChem CID 7283926) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-[2-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethoxy]benzamide.

Molecular Properties

Compound Name2-[2-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethoxy]benzamide
PubChem CID7283926
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name2-[2-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethoxy]benzamide
SMILESCC(C)Cc1ccc([C@@H](C)NC(=O)COc2ccccc2C(N)=O)cc1
InChIInChI=1S/C21H26N2O3/c1-14(2)12-16-8-10-17(11-9-16)15(3)23-20(24)13-26-19-7-5-4-6-18(19)21(22)25/h4-11,14-15H,12-13H2,1-3H3,(H2,22,25)(H,23,24)/t15-/m1/s1
InChIKeyADGFMNAIRACVPN-OAHLLOKOSA-N
XLogP3.24
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethoxy]benzamide
CID 8866061
2-(2-methoxyphenoxy)-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
CID 2608512
2-[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethoxy]benzamide
CID 7199656
2-(2-hydroxyphenoxy)-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
CID 78771813
N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-(2-phenylphenoxy)acetamide
CID 7936643
2-[2-oxo-2-[1-(1H-pyrazol-4-yl)ethylamino]ethoxy]benzamide
CID 106217638
N-[1-[4-(2-methylpropyl)phenyl]ethyl]-2-phenoxyacetamide
CID 42902003
ethyl 2-[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethoxy]benzoate
CID 7695014
[2-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl] 2-chlorobenzoate
CID 7866504
(2R)-2-[[2-(2-carbamoylphenoxy)acetyl]amino]propanoic acid
CID 54991568
2-[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethoxy]benzamide
CID 9090585
2-(4-bromo-2-propanoylphenoxy)-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
CID 4845917

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethoxy]benzamide?
The IUPAC name of 2-[2-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethoxy]benzamide (CID 7283926) is 2-[2-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethoxy]benzamide.
What is the SMILES notation for 2-[2-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethoxy]benzamide?
The canonical SMILES for 2-[2-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethoxy]benzamide is CC(C)Cc1ccc([C@@H](C)NC(=O)COc2ccccc2C(N)=O)cc1.
What is the InChIKey of 2-[2-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethoxy]benzamide?
The InChIKey is ADGFMNAIRACVPN-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-14(2)12-16-8-10-17(11-9-16)15(3)23-20(24)13-26-19-7-5-4-6-18(19)21(22)25/h4-11,14-15H,12-13H2,1-3H3,(H2,22,25)(H,23,24)/t15-/m1/s1.
What are the key properties of 2-[2-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethoxy]benzamide?
2-[2-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethoxy]benzamide has a molecular weight of 354.45 g/mol, XLogP of 3.24, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethoxy]benzamide is sourced from PubChem (CID 7283926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).