N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-phenoxypropanamide

C20H25NO4 — CID 132652449

IUPACN-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-phenoxypropanamide
SMILESCOc1cc(CNC(=O)C(C)Oc2ccccc2)ccc1OC(C)C
InChIInChI=1S/C20H25NO4/c1-14(2)24-18-11-10-16(12-19(18)23-4)13-21-20(22)15(3)25-17-8-6-5-7-9-17/h5-12,14-15H,13H2,1-4H3,(H,21,22)
InChIKeyRDJFASWZVZIYHI-UHFFFAOYSA-N
MW343.42 g/mol
LogP3.57
Rot. Bonds8

About N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-phenoxypropanamide

N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-phenoxypropanamide (PubChem CID 132652449) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-phenoxypropanamide.

Molecular Properties

Compound NameN-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-phenoxypropanamide
PubChem CID132652449
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC NameN-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-phenoxypropanamide
SMILESCOc1cc(CNC(=O)C(C)Oc2ccccc2)ccc1OC(C)C
InChIInChI=1S/C20H25NO4/c1-14(2)24-18-11-10-16(12-19(18)23-4)13-21-20(22)15(3)25-17-8-6-5-7-9-17/h5-12,14-15H,13H2,1-4H3,(H,21,22)
InChIKeyRDJFASWZVZIYHI-UHFFFAOYSA-N
XLogP3.57
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(3-chlorophenoxy)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]propanamide
CID 93487462
2-(2-ethylphenoxy)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]propanamide
CID 46763837
(2S)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 94016454
(2S)-N-[(3,4-dimethoxyphenyl)methyl]-2-naphthalen-2-yloxypropanamide
CID 26531500
N-[(3,4-dimethoxyphenyl)methyl]-2-naphthalen-2-yloxypropanamide
CID 17070225
(2S)-N-[(3,4-dimethoxyphenyl)methyl]-2-(3-iodophenoxy)propanamide
CID 25466275
(2R)-2-phenoxy-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 93234508
(2R)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 100665567
(2S)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 100665578
2-benzylsulfanyl-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]propanamide
CID 132656144
(2S)-N-[(4-methoxyphenyl)methyl]-2-phenoxypropanamide
CID 831480
(2S)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 28636993

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-phenoxypropanamide?
The IUPAC name of N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-phenoxypropanamide (CID 132652449) is N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-phenoxypropanamide.
What is the SMILES notation for N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-phenoxypropanamide?
The canonical SMILES for N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-phenoxypropanamide is COc1cc(CNC(=O)C(C)Oc2ccccc2)ccc1OC(C)C.
What is the InChIKey of N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-phenoxypropanamide?
The InChIKey is RDJFASWZVZIYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4/c1-14(2)24-18-11-10-16(12-19(18)23-4)13-21-20(22)15(3)25-17-8-6-5-7-9-17/h5-12,14-15H,13H2,1-4H3,(H,21,22).
What are the key properties of N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-phenoxypropanamide?
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-phenoxypropanamide has a molecular weight of 343.42 g/mol, XLogP of 3.57, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-phenoxypropanamide is sourced from PubChem (CID 132652449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).