(2S)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2,3,5-trimethylphenoxy)propanamide

C23H31NO4 — CID 28636993

IUPAC(2S)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2,3,5-trimethylphenoxy)propanamide
SMILESCOc1cc(CNC(=O)[C@H](C)Oc2cc(C)cc(C)c2C)ccc1OC(C)C
InChIInChI=1S/C23H31NO4/c1-14(2)27-20-9-8-19(12-22(20)26-7)13-24-23(25)18(6)28-21-11-15(3)10-16(4)17(21)5/h8-12,14,18H,13H2,1-7H3,(H,24,25)/t18-/m0/s1
InChIKeyJDUYRGZUQGHOSX-SFHVURJKSA-N
MW385.50 g/mol
LogP4.49
Rot. Bonds8

About (2S)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2,3,5-trimethylphenoxy)propanamide

(2S)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2,3,5-trimethylphenoxy)propanamide (PubChem CID 28636993) has the molecular formula C23H31NO4 and a molecular weight of 385.50 g/mol. Its IUPAC name is (2S)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2,3,5-trimethylphenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2,3,5-trimethylphenoxy)propanamide
PubChem CID28636993
Molecular FormulaC23H31NO4
Molecular Weight385.50 g/mol
Exact Mass385.23
IUPAC Name(2S)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2,3,5-trimethylphenoxy)propanamide
SMILESCOc1cc(CNC(=O)[C@H](C)Oc2cc(C)cc(C)c2C)ccc1OC(C)C
InChIInChI=1S/C23H31NO4/c1-14(2)27-20-9-8-19(12-22(20)26-7)13-24-23(25)18(6)28-21-11-15(3)10-16(4)17(21)5/h8-12,14,18H,13H2,1-7H3,(H,24,25)/t18-/m0/s1
InChIKeyJDUYRGZUQGHOSX-SFHVURJKSA-N
XLogP4.49
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.50
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[(3,4-dimethoxyphenyl)methyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 92685312
N-[3-(3,4-dimethoxyphenyl)propyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 132658160
N-[(3-propan-2-yloxyphenyl)methyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 43904321
2-(2-ethylphenoxy)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]propanamide
CID 46763837
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-phenoxypropanamide
CID 132652449
(2R)-N-[(4-chlorophenyl)methyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 92680001
(2S)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 94016454
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 133199399
(2R)-2-(3-chlorophenoxy)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]propanamide
CID 93487462
(2R)-N-[(2-methylphenyl)methyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 92675244
(2S)-N-[(3,4-dimethoxyphenyl)methyl]-2-(4-methyl-2-nitrophenoxy)propanamide
CID 8941293
(2R)-N-ethyl-2-(2,3,5-trimethylphenoxy)propanamide
CID 28631725

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2,3,5-trimethylphenoxy)propanamide?
The IUPAC name of (2S)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2,3,5-trimethylphenoxy)propanamide (CID 28636993) is (2S)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2,3,5-trimethylphenoxy)propanamide.
What is the SMILES notation for (2S)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2,3,5-trimethylphenoxy)propanamide?
The canonical SMILES for (2S)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2,3,5-trimethylphenoxy)propanamide is COc1cc(CNC(=O)[C@H](C)Oc2cc(C)cc(C)c2C)ccc1OC(C)C.
What is the InChIKey of (2S)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2,3,5-trimethylphenoxy)propanamide?
The InChIKey is JDUYRGZUQGHOSX-SFHVURJKSA-N. The full InChI is InChI=1S/C23H31NO4/c1-14(2)27-20-9-8-19(12-22(20)26-7)13-24-23(25)18(6)28-21-11-15(3)10-16(4)17(21)5/h8-12,14,18H,13H2,1-7H3,(H,24,25)/t18-/m0/s1.
What are the key properties of (2S)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2,3,5-trimethylphenoxy)propanamide?
(2S)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2,3,5-trimethylphenoxy)propanamide has a molecular weight of 385.50 g/mol, XLogP of 4.49, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2,3,5-trimethylphenoxy)propanamide is sourced from PubChem (CID 28636993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).