3-(3,4-dimethylphenyl)-N-[[1-(methoxymethyl)cyclopropyl]methyl]propanamide

C17H25NO2 — CID 122570668

IUPAC3-(3,4-dimethylphenyl)-N-[[1-(methoxymethyl)cyclopropyl]methyl]propanamide
SMILESCOCC1(CNC(=O)CCc2ccc(C)c(C)c2)CC1
InChIInChI=1S/C17H25NO2/c1-13-4-5-15(10-14(13)2)6-7-16(19)18-11-17(8-9-17)12-20-3/h4-5,10H,6-9,11-12H2,1-3H3,(H,18,19)
InChIKeyJZZWEIFJNCDHNT-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.78
Rot. Bonds7

About 3-(3,4-dimethylphenyl)-N-[[1-(methoxymethyl)cyclopropyl]methyl]propanamide

3-(3,4-dimethylphenyl)-N-[[1-(methoxymethyl)cyclopropyl]methyl]propanamide (PubChem CID 122570668) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)-N-[[1-(methoxymethyl)cyclopropyl]methyl]propanamide.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)-N-[[1-(methoxymethyl)cyclopropyl]methyl]propanamide
PubChem CID122570668
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name3-(3,4-dimethylphenyl)-N-[[1-(methoxymethyl)cyclopropyl]methyl]propanamide
SMILESCOCC1(CNC(=O)CCc2ccc(C)c(C)c2)CC1
InChIInChI=1S/C17H25NO2/c1-13-4-5-15(10-14(13)2)6-7-16(19)18-11-17(8-9-17)12-20-3/h4-5,10H,6-9,11-12H2,1-3H3,(H,18,19)
InChIKeyJZZWEIFJNCDHNT-UHFFFAOYSA-N
XLogP2.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-bromophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide
CID 120891255
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(4-propoxyphenyl)propanamide
CID 120891684
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,4-dimethylbenzamide;hydrochloride
CID 120891605
3-[3-(4-methoxy-3-methylphenyl)propanoylamino]propanoic acid
CID 110835538
N-[2-(4-chlorophenyl)ethyl]-3-(4-methoxy-3-methylphenyl)propanamide
CID 100541611
3-(4-tert-butylphenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide
CID 110416896
N-[[1-(chloromethyl)cyclopentyl]methyl]-3-(4-methoxyphenyl)propanamide
CID 115363823
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-(3-methylphenyl)propanamide
CID 115362508
[1-[[2-(3,4-dimethylphenyl)ethylamino]methyl]cyclopropyl]methanol
CID 115243618
N-[[1-(methoxymethyl)cyclopentyl]methyl]-3-pyrazin-2-ylpropanamide
CID 122572427
3-(4-methoxy-3-methylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 100642767
3-(3-bromophenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide
CID 80717586

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenyl)-N-[[1-(methoxymethyl)cyclopropyl]methyl]propanamide?
The IUPAC name of 3-(3,4-dimethylphenyl)-N-[[1-(methoxymethyl)cyclopropyl]methyl]propanamide (CID 122570668) is 3-(3,4-dimethylphenyl)-N-[[1-(methoxymethyl)cyclopropyl]methyl]propanamide.
What is the SMILES notation for 3-(3,4-dimethylphenyl)-N-[[1-(methoxymethyl)cyclopropyl]methyl]propanamide?
The canonical SMILES for 3-(3,4-dimethylphenyl)-N-[[1-(methoxymethyl)cyclopropyl]methyl]propanamide is COCC1(CNC(=O)CCc2ccc(C)c(C)c2)CC1.
What is the InChIKey of 3-(3,4-dimethylphenyl)-N-[[1-(methoxymethyl)cyclopropyl]methyl]propanamide?
The InChIKey is JZZWEIFJNCDHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-13-4-5-15(10-14(13)2)6-7-16(19)18-11-17(8-9-17)12-20-3/h4-5,10H,6-9,11-12H2,1-3H3,(H,18,19).
What are the key properties of 3-(3,4-dimethylphenyl)-N-[[1-(methoxymethyl)cyclopropyl]methyl]propanamide?
3-(3,4-dimethylphenyl)-N-[[1-(methoxymethyl)cyclopropyl]methyl]propanamide has a molecular weight of 275.39 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenyl)-N-[[1-(methoxymethyl)cyclopropyl]methyl]propanamide is sourced from PubChem (CID 122570668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).