N-[[1-(phenoxymethyl)cyclopropyl]methyl]-3-pyridin-4-ylpropanamide

C19H22N2O2 — CID 118782174

IUPACN-[[1-(phenoxymethyl)cyclopropyl]methyl]-3-pyridin-4-ylpropanamide
SMILESO=C(CCc1ccncc1)NCC1(COc2ccccc2)CC1
InChIInChI=1S/C19H22N2O2/c22-18(7-6-16-8-12-20-13-9-16)21-14-19(10-11-19)15-23-17-4-2-1-3-5-17/h1-5,8-9,12-13H,6-7,10-11,14-15H2,(H,21,22)
InChIKeyACTFJAJOJYOJLZ-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.99
Rot. Bonds8

About N-[[1-(phenoxymethyl)cyclopropyl]methyl]-3-pyridin-4-ylpropanamide

N-[[1-(phenoxymethyl)cyclopropyl]methyl]-3-pyridin-4-ylpropanamide (PubChem CID 118782174) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-[[1-(phenoxymethyl)cyclopropyl]methyl]-3-pyridin-4-ylpropanamide.

Molecular Properties

Compound NameN-[[1-(phenoxymethyl)cyclopropyl]methyl]-3-pyridin-4-ylpropanamide
PubChem CID118782174
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC NameN-[[1-(phenoxymethyl)cyclopropyl]methyl]-3-pyridin-4-ylpropanamide
SMILESO=C(CCc1ccncc1)NCC1(COc2ccccc2)CC1
InChIInChI=1S/C19H22N2O2/c22-18(7-6-16-8-12-20-13-9-16)21-14-19(10-11-19)15-23-17-4-2-1-3-5-17/h1-5,8-9,12-13H,6-7,10-11,14-15H2,(H,21,22)
InChIKeyACTFJAJOJYOJLZ-UHFFFAOYSA-N
XLogP2.99
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-methoxy-N-[[1-(phenoxymethyl)cyclopropyl]methyl]propanamide
CID 126423849
N-[(1-hydroxycyclobutyl)methyl]-3-phenylpropanamide
CID 111445427
3-methyl-N-[[1-(phenoxymethyl)cyclopropyl]methyl]imidazole-4-carboxamide
CID 122572722
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-phenoxypropanamide
CID 110292567
1-[(3-pyridin-2-ylpropanoylamino)methyl]cyclohexane-1-carboxylic acid
CID 115435618
2-(5-amino-3-methylpyrazol-1-yl)-N-[[1-(phenoxymethyl)cyclopropyl]methyl]acetamide
CID 131942164
3-(4-propoxyphenyl)-N-[(1-pyridin-2-ylcyclopropyl)methyl]propanamide
CID 86789127
N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]-3-phenoxypropanamide
CID 112993704
N-[[(3S,4R)-3,4-dihydroxy-1-(pyrazin-2-yloxymethyl)cyclopentyl]methyl]-2-phenoxyacetamide
CID 75367952
(5R)-3,5-dimethyl-N-[[1-(phenoxymethyl)cyclopropyl]methyl]-4H-1,2-oxazole-5-carboxamide
CID 125447128
N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-2-phenoxyacetamide
CID 110292724
3-(4-tert-butylphenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide
CID 110416896

Frequently Asked Questions

What is the IUPAC name of N-[[1-(phenoxymethyl)cyclopropyl]methyl]-3-pyridin-4-ylpropanamide?
The IUPAC name of N-[[1-(phenoxymethyl)cyclopropyl]methyl]-3-pyridin-4-ylpropanamide (CID 118782174) is N-[[1-(phenoxymethyl)cyclopropyl]methyl]-3-pyridin-4-ylpropanamide.
What is the SMILES notation for N-[[1-(phenoxymethyl)cyclopropyl]methyl]-3-pyridin-4-ylpropanamide?
The canonical SMILES for N-[[1-(phenoxymethyl)cyclopropyl]methyl]-3-pyridin-4-ylpropanamide is O=C(CCc1ccncc1)NCC1(COc2ccccc2)CC1.
What is the InChIKey of N-[[1-(phenoxymethyl)cyclopropyl]methyl]-3-pyridin-4-ylpropanamide?
The InChIKey is ACTFJAJOJYOJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c22-18(7-6-16-8-12-20-13-9-16)21-14-19(10-11-19)15-23-17-4-2-1-3-5-17/h1-5,8-9,12-13H,6-7,10-11,14-15H2,(H,21,22).
What are the key properties of N-[[1-(phenoxymethyl)cyclopropyl]methyl]-3-pyridin-4-ylpropanamide?
N-[[1-(phenoxymethyl)cyclopropyl]methyl]-3-pyridin-4-ylpropanamide has a molecular weight of 310.40 g/mol, XLogP of 2.99, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(phenoxymethyl)cyclopropyl]methyl]-3-pyridin-4-ylpropanamide is sourced from PubChem (CID 118782174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).