(2R)-N-[3-(3-methoxyphenyl)propyl]-2-(2-propan-2-ylphenoxy)propanamide

C22H29NO3 — CID 99952145

IUPAC(2R)-N-[3-(3-methoxyphenyl)propyl]-2-(2-propan-2-ylphenoxy)propanamide
SMILESCOc1cccc(CCCNC(=O)[C@@H](C)Oc2ccccc2C(C)C)c1
InChIInChI=1S/C22H29NO3/c1-16(2)20-12-5-6-13-21(20)26-17(3)22(24)23-14-8-10-18-9-7-11-19(15-18)25-4/h5-7,9,11-13,15-17H,8,10,14H2,1-4H3,(H,23,24)/t17-/m1/s1
InChIKeyAYZRYRPJLNQKKX-QGZVFWFLSA-N
MW355.48 g/mol
LogP4.33
Rot. Bonds9

About (2R)-N-[3-(3-methoxyphenyl)propyl]-2-(2-propan-2-ylphenoxy)propanamide

(2R)-N-[3-(3-methoxyphenyl)propyl]-2-(2-propan-2-ylphenoxy)propanamide (PubChem CID 99952145) has the molecular formula C22H29NO3 and a molecular weight of 355.48 g/mol. Its IUPAC name is (2R)-N-[3-(3-methoxyphenyl)propyl]-2-(2-propan-2-ylphenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-[3-(3-methoxyphenyl)propyl]-2-(2-propan-2-ylphenoxy)propanamide
PubChem CID99952145
Molecular FormulaC22H29NO3
Molecular Weight355.48 g/mol
Exact Mass355.21
IUPAC Name(2R)-N-[3-(3-methoxyphenyl)propyl]-2-(2-propan-2-ylphenoxy)propanamide
SMILESCOc1cccc(CCCNC(=O)[C@@H](C)Oc2ccccc2C(C)C)c1
InChIInChI=1S/C22H29NO3/c1-16(2)20-12-5-6-13-21(20)26-17(3)22(24)23-14-8-10-18-9-7-11-19(15-18)25-4/h5-7,9,11-13,15-17H,8,10,14H2,1-4H3,(H,23,24)/t17-/m1/s1
InChIKeyAYZRYRPJLNQKKX-QGZVFWFLSA-N
XLogP4.33
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(2,3-dimethylphenoxy)-N-[3-(3-methoxyphenyl)propyl]propanamide
CID 28572831
2-(2-methoxyphenoxy)-N-[3-(3-propan-2-yloxyphenyl)propyl]propanamide
CID 132655789
(2R)-2-(4-fluorophenoxy)-N-[3-(3-methoxyphenyl)propyl]propanamide
CID 95172603
2-(4-bromophenoxy)-N-[3-(3-methoxyphenyl)propyl]propanamide
CID 132659559
(2R)-N-[(3-propan-2-yloxyphenyl)methyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 92683578
N-[3-(4-chlorophenyl)propyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 43916344
(2S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 92647143
N-[2-(3-methoxyphenyl)ethyl]-2-(2-propan-2-ylphenoxy)acetamide
CID 112977430
2-(3-methoxyphenoxy)-N-(2-phenylethyl)propanamide
CID 19203903
4-methoxy-N-[3-(3-methoxyphenyl)propyl]-2-methyl-5-propan-2-ylbenzamide
CID 100715842
(2R)-N-[3-(3-methoxyphenyl)propyl]-2-phenylsulfanylpropanamide
CID 95172605
N-(3-propan-2-yloxypropyl)-2-(2-propan-2-ylphenoxy)propanamide
CID 43877163

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-(3-methoxyphenyl)propyl]-2-(2-propan-2-ylphenoxy)propanamide?
The IUPAC name of (2R)-N-[3-(3-methoxyphenyl)propyl]-2-(2-propan-2-ylphenoxy)propanamide (CID 99952145) is (2R)-N-[3-(3-methoxyphenyl)propyl]-2-(2-propan-2-ylphenoxy)propanamide.
What is the SMILES notation for (2R)-N-[3-(3-methoxyphenyl)propyl]-2-(2-propan-2-ylphenoxy)propanamide?
The canonical SMILES for (2R)-N-[3-(3-methoxyphenyl)propyl]-2-(2-propan-2-ylphenoxy)propanamide is COc1cccc(CCCNC(=O)[C@@H](C)Oc2ccccc2C(C)C)c1.
What is the InChIKey of (2R)-N-[3-(3-methoxyphenyl)propyl]-2-(2-propan-2-ylphenoxy)propanamide?
The InChIKey is AYZRYRPJLNQKKX-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H29NO3/c1-16(2)20-12-5-6-13-21(20)26-17(3)22(24)23-14-8-10-18-9-7-11-19(15-18)25-4/h5-7,9,11-13,15-17H,8,10,14H2,1-4H3,(H,23,24)/t17-/m1/s1.
What are the key properties of (2R)-N-[3-(3-methoxyphenyl)propyl]-2-(2-propan-2-ylphenoxy)propanamide?
(2R)-N-[3-(3-methoxyphenyl)propyl]-2-(2-propan-2-ylphenoxy)propanamide has a molecular weight of 355.48 g/mol, XLogP of 4.33, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-(3-methoxyphenyl)propyl]-2-(2-propan-2-ylphenoxy)propanamide is sourced from PubChem (CID 99952145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).