N-[[2-(3-methylbutoxy)phenyl]methyl]-2-phenylmethoxypropanamide

C22H29NO3 — CID 60618262

IUPACN-[[2-(3-methylbutoxy)phenyl]methyl]-2-phenylmethoxypropanamide
SMILESCC(C)CCOc1ccccc1CNC(=O)C(C)OCc1ccccc1
InChIInChI=1S/C22H29NO3/c1-17(2)13-14-25-21-12-8-7-11-20(21)15-23-22(24)18(3)26-16-19-9-5-4-6-10-19/h4-12,17-18H,13-16H2,1-3H3,(H,23,24)
InChIKeyPYUQVCVDFOWQGY-UHFFFAOYSA-N
MW355.48 g/mol
LogP4.33
Rot. Bonds10

About N-[[2-(3-methylbutoxy)phenyl]methyl]-2-phenylmethoxypropanamide

N-[[2-(3-methylbutoxy)phenyl]methyl]-2-phenylmethoxypropanamide (PubChem CID 60618262) has the molecular formula C22H29NO3 and a molecular weight of 355.48 g/mol. Its IUPAC name is N-[[2-(3-methylbutoxy)phenyl]methyl]-2-phenylmethoxypropanamide.

Molecular Properties

Compound NameN-[[2-(3-methylbutoxy)phenyl]methyl]-2-phenylmethoxypropanamide
PubChem CID60618262
Molecular FormulaC22H29NO3
Molecular Weight355.48 g/mol
Exact Mass355.21
IUPAC NameN-[[2-(3-methylbutoxy)phenyl]methyl]-2-phenylmethoxypropanamide
SMILESCC(C)CCOc1ccccc1CNC(=O)C(C)OCc1ccccc1
InChIInChI=1S/C22H29NO3/c1-17(2)13-14-25-21-12-8-7-11-20(21)15-23-22(24)18(3)26-16-19-9-5-4-6-10-19/h4-12,17-18H,13-16H2,1-3H3,(H,23,24)
InChIKeyPYUQVCVDFOWQGY-UHFFFAOYSA-N
XLogP4.33
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
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

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Related Compounds

2-(4-aminophenyl)-N-[[2-(3-methylbutoxy)phenyl]methyl]acetamide
CID 119759010
(2S)-2-amino-N-[[2-(3-methylbutoxy)phenyl]methyl]-4-methylsulfanylbutanamide
CID 119309297
(2S)-2-amino-3,3-dimethyl-N-[[2-(3-methylbutoxy)phenyl]methyl]butanamide;hydrochloride
CID 119759025
(2S)-2-amino-3-methyl-N-[(2-phenylmethoxyphenyl)methyl]butanamide;hydrochloride
CID 119296786
N-[(2-phenylmethoxyphenyl)methyl]-2-propan-2-ylsulfonylpropanamide
CID 51123622
N-[[2-(3-methylbutoxy)phenyl]methyl]-2-propan-2-ylsulfonylbenzamide
CID 60622145
4-(methylamino)-N-[[2-(3-methylbutoxy)phenyl]methyl]butanamide;hydrochloride
CID 119759011
2-phenylmethoxy-N-(pyridin-3-ylmethyl)propanamide
CID 42959352
(2R)-N-[[4-(dimethylamino)phenyl]methyl]-2-phenylmethoxypropanamide
CID 39943771
3-bromo-N-[[2-(3-methylbutoxy)phenyl]methyl]thiophene-2-carboxamide
CID 60618416
2-hydroxy-3-(2-phenylmethoxypropanoylamino)propanoic acid
CID 66166214
4-methyl-2-[(2-phenylmethoxypropanoylamino)methyl]pentanoic acid
CID 119252750

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-methylbutoxy)phenyl]methyl]-2-phenylmethoxypropanamide?
The IUPAC name of N-[[2-(3-methylbutoxy)phenyl]methyl]-2-phenylmethoxypropanamide (CID 60618262) is N-[[2-(3-methylbutoxy)phenyl]methyl]-2-phenylmethoxypropanamide.
What is the SMILES notation for N-[[2-(3-methylbutoxy)phenyl]methyl]-2-phenylmethoxypropanamide?
The canonical SMILES for N-[[2-(3-methylbutoxy)phenyl]methyl]-2-phenylmethoxypropanamide is CC(C)CCOc1ccccc1CNC(=O)C(C)OCc1ccccc1.
What is the InChIKey of N-[[2-(3-methylbutoxy)phenyl]methyl]-2-phenylmethoxypropanamide?
The InChIKey is PYUQVCVDFOWQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO3/c1-17(2)13-14-25-21-12-8-7-11-20(21)15-23-22(24)18(3)26-16-19-9-5-4-6-10-19/h4-12,17-18H,13-16H2,1-3H3,(H,23,24).
What are the key properties of N-[[2-(3-methylbutoxy)phenyl]methyl]-2-phenylmethoxypropanamide?
N-[[2-(3-methylbutoxy)phenyl]methyl]-2-phenylmethoxypropanamide has a molecular weight of 355.48 g/mol, XLogP of 4.33, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-methylbutoxy)phenyl]methyl]-2-phenylmethoxypropanamide is sourced from PubChem (CID 60618262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).