N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(4-methoxyphenyl)propanamide

C21H26N2O3 — CID 55659908

IUPACN-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NCc2cccnc2OC2CCCC2)cc1
InChIInChI=1S/C21H26N2O3/c1-25-18-11-8-16(9-12-18)10-13-20(24)23-15-17-5-4-14-22-21(17)26-19-6-2-3-7-19/h4-5,8-9,11-12,14,19H,2-3,6-7,10,13,15H2,1H3,(H,23,24)
InChIKeyVSUDKNUEJQCUGN-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.66
Rot. Bonds8

About N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(4-methoxyphenyl)propanamide

N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(4-methoxyphenyl)propanamide (PubChem CID 55659908) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(4-methoxyphenyl)propanamide
PubChem CID55659908
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NCc2cccnc2OC2CCCC2)cc1
InChIInChI=1S/C21H26N2O3/c1-25-18-11-8-16(9-12-18)10-13-20(24)23-15-17-5-4-14-22-21(17)26-19-6-2-3-7-19/h4-5,8-9,11-12,14,19H,2-3,6-7,10,13,15H2,1H3,(H,23,24)
InChIKeyVSUDKNUEJQCUGN-UHFFFAOYSA-N
XLogP3.66
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-[(4-methoxyphenyl)methyl]-1-methylurea
CID 55795149
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(2,4-dimethylphenyl)propanamide
CID 55659744
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 36604713
4-(4-chlorophenyl)-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-4-oxobutanamide
CID 55679215
N-[2-[(2-cyclopentyloxy-3-pyridinyl)methylamino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 55659721
3-(4-methoxyphenyl)-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propanamide
CID 122275254
3-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)propanamide
CID 898315
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide
CID 55659982
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide
CID 36604681
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-[(2S)-oxolan-2-yl]acetamide
CID 94026468
N-[[2-(hydroxymethyl)phenyl]methyl]-3-(4-methoxyphenyl)propanamide
CID 110902384
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 55659774

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(4-methoxyphenyl)propanamide (CID 55659908) is N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(4-methoxyphenyl)propanamide is COc1ccc(CCC(=O)NCc2cccnc2OC2CCCC2)cc1.
What is the InChIKey of N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(4-methoxyphenyl)propanamide?
The InChIKey is VSUDKNUEJQCUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-25-18-11-8-16(9-12-18)10-13-20(24)23-15-17-5-4-14-22-21(17)26-19-6-2-3-7-19/h4-5,8-9,11-12,14,19H,2-3,6-7,10,13,15H2,1H3,(H,23,24).
What are the key properties of N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(4-methoxyphenyl)propanamide?
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(4-methoxyphenyl)propanamide has a molecular weight of 354.45 g/mol, XLogP of 3.66, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 55659908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).