N-[[4-methoxy-3-(oxolan-3-ylmethoxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)pent-4-enamide

C24H30N2O4 — CID 45174309

IUPACN-[[4-methoxy-3-(oxolan-3-ylmethoxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)pent-4-enamide
SMILESC=CCCC(=O)N(Cc1cccnc1)Cc1ccc(OC)c(OCC2CCOC2)c1
InChIInChI=1S/C24H30N2O4/c1-3-4-7-24(27)26(16-20-6-5-11-25-14-20)15-19-8-9-22(28-2)23(13-19)30-18-21-10-12-29-17-21/h3,5-6,8-9,11,13-14,21H,1,4,7,10,12,15-18H2,2H3
InChIKeyHGBIANQRUPUNDD-UHFFFAOYSA-N
MW410.51 g/mol
LogP4.00
Rot. Bonds11

About N-[[4-methoxy-3-(oxolan-3-ylmethoxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)pent-4-enamide

N-[[4-methoxy-3-(oxolan-3-ylmethoxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)pent-4-enamide (PubChem CID 45174309) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is N-[[4-methoxy-3-(oxolan-3-ylmethoxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)pent-4-enamide.

Molecular Properties

Compound NameN-[[4-methoxy-3-(oxolan-3-ylmethoxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)pent-4-enamide
PubChem CID45174309
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC NameN-[[4-methoxy-3-(oxolan-3-ylmethoxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)pent-4-enamide
SMILESC=CCCC(=O)N(Cc1cccnc1)Cc1ccc(OC)c(OCC2CCOC2)c1
InChIInChI=1S/C24H30N2O4/c1-3-4-7-24(27)26(16-20-6-5-11-25-14-20)15-19-8-9-22(28-2)23(13-19)30-18-21-10-12-29-17-21/h3,5-6,8-9,11,13-14,21H,1,4,7,10,12,15-18H2,2H3
InChIKeyHGBIANQRUPUNDD-UHFFFAOYSA-N
XLogP4.00
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[[4-methoxy-3-[[(3S)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-3-ylmethyl)pent-4-enamide
CID 42435212
2-(3,5-dimethylpyrazol-1-yl)-N-[[4-methoxy-3-(oxolan-3-ylmethoxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)acetamide
CID 45173757
N-[[4-methoxy-3-[[(3R)-oxolan-3-yl]methoxy]phenyl]methyl]-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide
CID 26333291
2,5-dimethoxy-N-[[4-methoxy-3-(oxolan-3-ylmethoxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 118755483
N-[[3-methoxy-4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]-N-(pyridin-3-ylmethyl)acetamide
CID 42481284
N-[[3-methoxy-4-(oxolan-3-yloxy)phenyl]methyl]-2-methyl-N-(pyridin-3-ylmethyl)propanamide
CID 45233393
N-[[3-methoxy-4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]-N-(pyridin-3-ylmethyl)-2-thiophen-3-ylacetamide
CID 26340017
4-[3-(cyclopropylmethoxy)-4-methoxy-N-(pyridin-3-ylmethyl)anilino]benzoic acid
CID 10158101
N-[[4-methoxy-3-[(3-methyloxetan-3-yl)methoxy]phenyl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pent-4-enamide
CID 42499790
N-[[3-methoxy-4-(oxolan-3-yloxy)phenyl]methyl]-5-methyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
CID 45234882
(E)-3-(2-chlorophenyl)-N-[[3-methoxy-4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 42366526
N-[[3-methoxy-4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]-4-morpholin-4-yl-N-(pyridin-3-ylmethyl)benzamide
CID 42277852

Frequently Asked Questions

What is the IUPAC name of N-[[4-methoxy-3-(oxolan-3-ylmethoxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)pent-4-enamide?
The IUPAC name of N-[[4-methoxy-3-(oxolan-3-ylmethoxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)pent-4-enamide (CID 45174309) is N-[[4-methoxy-3-(oxolan-3-ylmethoxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)pent-4-enamide.
What is the SMILES notation for N-[[4-methoxy-3-(oxolan-3-ylmethoxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)pent-4-enamide?
The canonical SMILES for N-[[4-methoxy-3-(oxolan-3-ylmethoxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)pent-4-enamide is C=CCCC(=O)N(Cc1cccnc1)Cc1ccc(OC)c(OCC2CCOC2)c1.
What is the InChIKey of N-[[4-methoxy-3-(oxolan-3-ylmethoxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)pent-4-enamide?
The InChIKey is HGBIANQRUPUNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-3-4-7-24(27)26(16-20-6-5-11-25-14-20)15-19-8-9-22(28-2)23(13-19)30-18-21-10-12-29-17-21/h3,5-6,8-9,11,13-14,21H,1,4,7,10,12,15-18H2,2H3.
What are the key properties of N-[[4-methoxy-3-(oxolan-3-ylmethoxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)pent-4-enamide?
N-[[4-methoxy-3-(oxolan-3-ylmethoxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)pent-4-enamide has a molecular weight of 410.51 g/mol, XLogP of 4.00, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methoxy-3-(oxolan-3-ylmethoxy)phenyl]methyl]-N-(pyridin-3-ylmethyl)pent-4-enamide is sourced from PubChem (CID 45174309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).