2-methoxy-N-[1-(2-methylphenyl)ethyl]propanamide

C13H19NO2 — CID 112685603

IUPAC2-methoxy-N-[1-(2-methylphenyl)ethyl]propanamide
SMILESCOC(C)C(=O)NC(C)c1ccccc1C
InChIInChI=1S/C13H19NO2/c1-9-7-5-6-8-12(9)10(2)14-13(15)11(3)16-4/h5-8,10-11H,1-4H3,(H,14,15)
InChIKeyVAKJNFIKRWCVNJ-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.21
Rot. Bonds4

About 2-methoxy-N-[1-(2-methylphenyl)ethyl]propanamide

2-methoxy-N-[1-(2-methylphenyl)ethyl]propanamide (PubChem CID 112685603) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-methoxy-N-[1-(2-methylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name2-methoxy-N-[1-(2-methylphenyl)ethyl]propanamide
PubChem CID112685603
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-methoxy-N-[1-(2-methylphenyl)ethyl]propanamide
SMILESCOC(C)C(=O)NC(C)c1ccccc1C
InChIInChI=1S/C13H19NO2/c1-9-7-5-6-8-12(9)10(2)14-13(15)11(3)16-4/h5-8,10-11H,1-4H3,(H,14,15)
InChIKeyVAKJNFIKRWCVNJ-UHFFFAOYSA-N
XLogP2.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl N-[1-(2-methylphenyl)ethyl]carbamate
CID 112683657
2-amino-3-methoxy-N-[1-(2-methylphenyl)ethyl]propanamide;hydrochloride
CID 120983404
2-methoxy-N-[1-(2-propan-2-yloxyphenyl)ethyl]propanamide
CID 47308123
(2R)-2-methoxy-N-[(1R)-1-phenylethyl]propanamide
CID 10375743
(2S)-2-methoxy-N-[(1R)-1-phenylethyl]propanamide
CID 10330656
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methoxypropanamide
CID 112685807
ethyl 2-amino-3-[[(1S)-1-(2-methylphenyl)ethyl]amino]-3-oxopropanoate
CID 104877641
2-amino-4-methoxy-N-[(1R)-1-(2-methylphenyl)ethyl]butanamide
CID 81380450
2-(aminomethyl)-4,4-dimethyl-N-[(1S)-1-(2-methylphenyl)ethyl]pentanamide
CID 107472507
2-(aminomethyl)-N-[(1R)-1-(2-methylphenyl)ethyl]pentanamide
CID 81374264
2-amino-N-[1-(2-methylphenyl)ethyl]butanediamide
CID 61259896
2-methoxy-N-[1-(2-methylphenyl)ethyl]benzamide
CID 18111879

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[1-(2-methylphenyl)ethyl]propanamide?
The IUPAC name of 2-methoxy-N-[1-(2-methylphenyl)ethyl]propanamide (CID 112685603) is 2-methoxy-N-[1-(2-methylphenyl)ethyl]propanamide.
What is the SMILES notation for 2-methoxy-N-[1-(2-methylphenyl)ethyl]propanamide?
The canonical SMILES for 2-methoxy-N-[1-(2-methylphenyl)ethyl]propanamide is COC(C)C(=O)NC(C)c1ccccc1C.
What is the InChIKey of 2-methoxy-N-[1-(2-methylphenyl)ethyl]propanamide?
The InChIKey is VAKJNFIKRWCVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-9-7-5-6-8-12(9)10(2)14-13(15)11(3)16-4/h5-8,10-11H,1-4H3,(H,14,15).
What are the key properties of 2-methoxy-N-[1-(2-methylphenyl)ethyl]propanamide?
2-methoxy-N-[1-(2-methylphenyl)ethyl]propanamide has a molecular weight of 221.30 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[1-(2-methylphenyl)ethyl]propanamide is sourced from PubChem (CID 112685603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).