N-[(4-methoxy-2-methylphenyl)methyl]-2-(oxan-4-yl)propanamide

C17H25NO3 — CID 75433024

IUPACN-[(4-methoxy-2-methylphenyl)methyl]-2-(oxan-4-yl)propanamide
SMILESCOc1ccc(CNC(=O)C(C)C2CCOCC2)c(C)c1
InChIInChI=1S/C17H25NO3/c1-12-10-16(20-3)5-4-15(12)11-18-17(19)13(2)14-6-8-21-9-7-14/h4-5,10,13-14H,6-9,11H2,1-3H3,(H,18,19)
InChIKeyCZEXPPGINGVOTE-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.68
Rot. Bonds5

About N-[(4-methoxy-2-methylphenyl)methyl]-2-(oxan-4-yl)propanamide

N-[(4-methoxy-2-methylphenyl)methyl]-2-(oxan-4-yl)propanamide (PubChem CID 75433024) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-[(4-methoxy-2-methylphenyl)methyl]-2-(oxan-4-yl)propanamide.

Molecular Properties

Compound NameN-[(4-methoxy-2-methylphenyl)methyl]-2-(oxan-4-yl)propanamide
PubChem CID75433024
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC NameN-[(4-methoxy-2-methylphenyl)methyl]-2-(oxan-4-yl)propanamide
SMILESCOc1ccc(CNC(=O)C(C)C2CCOCC2)c(C)c1
InChIInChI=1S/C17H25NO3/c1-12-10-16(20-3)5-4-15(12)11-18-17(19)13(2)14-6-8-21-9-7-14/h4-5,10,13-14H,6-9,11H2,1-3H3,(H,18,19)
InChIKeyCZEXPPGINGVOTE-UHFFFAOYSA-N
XLogP2.68
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methoxyphenyl)-2-(oxan-4-yl)propanamide
CID 110876397
2-amino-N-[(2-bromo-5-methoxyphenyl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120788733
(2R)-N-[1-(3-methoxyphenyl)-2-methylpropan-2-yl]-2-(oxan-4-yl)propanamide
CID 97244143
2-chloro-N-[(4-methoxy-2-methylphenyl)methyl]acetamide
CID 166403863
2-cyclopropyl-1-(4-methoxy-2-methylphenyl)propan-1-one
CID 114965532
N-[(2,4-dimethoxyphenyl)methyl]-1-(oxan-4-yl)ethanamine
CID 103769004
4-methoxy-2-[[1-(oxan-4-yl)ethylamino]methyl]phenol
CID 103902332
N-[[(3R)-2,9-dioxaspiro[5.5]undecan-3-yl]methyl]-2-(4-methoxy-2-methylphenyl)acetamide
CID 164635535
2-cyclopropyl-N-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]propanamide
CID 136572601
2-(oxan-4-yl)-N-(pyridin-3-ylmethyl)propanamide
CID 91918211
N-[(4-methoxy-2-methylphenyl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide
CID 138044140
1-[(2-methyl-4-propoxyphenyl)methyl]-3-[(4R)-oxepan-4-yl]urea
CID 99833443

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-2-methylphenyl)methyl]-2-(oxan-4-yl)propanamide?
The IUPAC name of N-[(4-methoxy-2-methylphenyl)methyl]-2-(oxan-4-yl)propanamide (CID 75433024) is N-[(4-methoxy-2-methylphenyl)methyl]-2-(oxan-4-yl)propanamide.
What is the SMILES notation for N-[(4-methoxy-2-methylphenyl)methyl]-2-(oxan-4-yl)propanamide?
The canonical SMILES for N-[(4-methoxy-2-methylphenyl)methyl]-2-(oxan-4-yl)propanamide is COc1ccc(CNC(=O)C(C)C2CCOCC2)c(C)c1.
What is the InChIKey of N-[(4-methoxy-2-methylphenyl)methyl]-2-(oxan-4-yl)propanamide?
The InChIKey is CZEXPPGINGVOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-12-10-16(20-3)5-4-15(12)11-18-17(19)13(2)14-6-8-21-9-7-14/h4-5,10,13-14H,6-9,11H2,1-3H3,(H,18,19).
What are the key properties of N-[(4-methoxy-2-methylphenyl)methyl]-2-(oxan-4-yl)propanamide?
N-[(4-methoxy-2-methylphenyl)methyl]-2-(oxan-4-yl)propanamide has a molecular weight of 291.39 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-2-methylphenyl)methyl]-2-(oxan-4-yl)propanamide is sourced from PubChem (CID 75433024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).