N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-propan-2-yloxybenzamide

C19H23NO3 — CID 26618887

IUPACN-[(1R)-1-(2-methoxyphenyl)ethyl]-4-propan-2-yloxybenzamide
SMILESCOc1ccccc1[C@@H](C)NC(=O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C19H23NO3/c1-13(2)23-16-11-9-15(10-12-16)19(21)20-14(3)17-7-5-6-8-18(17)22-4/h5-14H,1-4H3,(H,20,21)/t14-/m1/s1
InChIKeyFCGYPPNJQYJOTL-CQSZACIVSA-N
MW313.40 g/mol
LogP3.97
Rot. Bonds6

About N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-propan-2-yloxybenzamide

N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-propan-2-yloxybenzamide (PubChem CID 26618887) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[(1R)-1-(2-methoxyphenyl)ethyl]-4-propan-2-yloxybenzamide
PubChem CID26618887
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC NameN-[(1R)-1-(2-methoxyphenyl)ethyl]-4-propan-2-yloxybenzamide
SMILESCOc1ccccc1[C@@H](C)NC(=O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C19H23NO3/c1-13(2)23-16-11-9-15(10-12-16)19(21)20-14(3)17-7-5-6-8-18(17)22-4/h5-14H,1-4H3,(H,20,21)/t14-/m1/s1
InChIKeyFCGYPPNJQYJOTL-CQSZACIVSA-N
XLogP3.97
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-propoxybenzamide
CID 26882953
N-[(1S)-1-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 51474665
4-(chloromethyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]benzamide
CID 81389735
4-cyano-N-[(1S)-1-(2-methoxyphenyl)ethyl]benzamide
CID 7719116
3-fluoro-4-methoxy-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide
CID 27787598
4-methylsulfonyl-N-[1-(2-propan-2-yloxyphenyl)ethyl]benzamide
CID 47042681
N-[(1S)-1-(2-methoxyphenyl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 97313653
N-[1-(2-methoxyphenyl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 75461927
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-fluorobenzamide
CID 880770
4-(1,3-dithiolan-2-yl)-N-[1-(2-methoxyphenyl)ethyl]benzamide
CID 78771363
N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 125052451
6-chloro-N-[(1R)-1-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 26618870

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-propan-2-yloxybenzamide?
The IUPAC name of N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-propan-2-yloxybenzamide (CID 26618887) is N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-propan-2-yloxybenzamide?
The canonical SMILES for N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-propan-2-yloxybenzamide is COc1ccccc1[C@@H](C)NC(=O)c1ccc(OC(C)C)cc1.
What is the InChIKey of N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-propan-2-yloxybenzamide?
The InChIKey is FCGYPPNJQYJOTL-CQSZACIVSA-N. The full InChI is InChI=1S/C19H23NO3/c1-13(2)23-16-11-9-15(10-12-16)19(21)20-14(3)17-7-5-6-8-18(17)22-4/h5-14H,1-4H3,(H,20,21)/t14-/m1/s1.
What are the key properties of N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-propan-2-yloxybenzamide?
N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-propan-2-yloxybenzamide has a molecular weight of 313.40 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 26618887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).