(2S)-N-[(4-methoxyphenyl)methyl]-N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)propanamide

C22H29NO3 — CID 98831423

IUPAC(2S)-N-[(4-methoxyphenyl)methyl]-N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
SMILESCOc1ccc(CN(C)C(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)cc1
InChIInChI=1S/C22H29NO3/c1-15(2)20-12-7-16(3)13-21(20)26-17(4)22(24)23(5)14-18-8-10-19(25-6)11-9-18/h7-13,15,17H,14H2,1-6H3/t17-/m0/s1
InChIKeyTXMVCDZBQCHBLC-KRWDZBQOSA-N
MW355.48 g/mol
LogP4.55
Rot. Bonds7

About (2S)-N-[(4-methoxyphenyl)methyl]-N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)propanamide

(2S)-N-[(4-methoxyphenyl)methyl]-N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)propanamide (PubChem CID 98831423) has the molecular formula C22H29NO3 and a molecular weight of 355.48 g/mol. Its IUPAC name is (2S)-N-[(4-methoxyphenyl)methyl]-N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-[(4-methoxyphenyl)methyl]-N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
PubChem CID98831423
Molecular FormulaC22H29NO3
Molecular Weight355.48 g/mol
Exact Mass355.21
IUPAC Name(2S)-N-[(4-methoxyphenyl)methyl]-N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
SMILESCOc1ccc(CN(C)C(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)cc1
InChIInChI=1S/C22H29NO3/c1-15(2)20-12-7-16(3)13-21(20)26-17(4)22(24)23(5)14-18-8-10-19(25-6)11-9-18/h7-13,15,17H,14H2,1-6H3/t17-/m0/s1
InChIKeyTXMVCDZBQCHBLC-KRWDZBQOSA-N
XLogP4.55
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methoxyphenyl)methyl]-N-methyl-2-(3-methylphenoxy)propanamide
CID 21368307
N-(1,1-dioxothiolan-3-yl)-N-[(4-methoxyphenyl)methyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 3348137
2-(2,3-dimethylphenoxy)-N-[(4-methoxyphenyl)methyl]-N-methylpropanamide
CID 43904465
N-[(2-fluorophenyl)methyl]-N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 75893243
N-[2-(4-methoxyphenoxy)ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133234660
(2R)-2-(4-fluorophenoxy)-N-[(4-methoxyphenyl)methyl]-N-methylpropanamide
CID 42560933
N-benzyl-N-ethyl-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133162903
N-[(4-fluorophenyl)methyl]-N-methyl-2-(4-methylphenoxy)propanamide
CID 78770345
N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133163789
2-(4-cyanophenoxy)-N-[(4-methoxyphenyl)methyl]-N-methylpropanamide
CID 51155118
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-(3-methylphenoxy)propanamide
CID 43904782
(2S)-N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)-N-phenylpropanamide
CID 94840107

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(4-methoxyphenyl)methyl]-N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)propanamide?
The IUPAC name of (2S)-N-[(4-methoxyphenyl)methyl]-N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)propanamide (CID 98831423) is (2S)-N-[(4-methoxyphenyl)methyl]-N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)propanamide.
What is the SMILES notation for (2S)-N-[(4-methoxyphenyl)methyl]-N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)propanamide?
The canonical SMILES for (2S)-N-[(4-methoxyphenyl)methyl]-N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)propanamide is COc1ccc(CN(C)C(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)cc1.
What is the InChIKey of (2S)-N-[(4-methoxyphenyl)methyl]-N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)propanamide?
The InChIKey is TXMVCDZBQCHBLC-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H29NO3/c1-15(2)20-12-7-16(3)13-21(20)26-17(4)22(24)23(5)14-18-8-10-19(25-6)11-9-18/h7-13,15,17H,14H2,1-6H3/t17-/m0/s1.
What are the key properties of (2S)-N-[(4-methoxyphenyl)methyl]-N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)propanamide?
(2S)-N-[(4-methoxyphenyl)methyl]-N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)propanamide has a molecular weight of 355.48 g/mol, XLogP of 4.55, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(4-methoxyphenyl)methyl]-N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)propanamide is sourced from PubChem (CID 98831423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).