N-methyl-5-(3-methylphenoxy)-N-(pyridin-3-ylmethyl)pentanamide

C19H24N2O2 — CID 47488024

IUPACN-methyl-5-(3-methylphenoxy)-N-(pyridin-3-ylmethyl)pentanamide
SMILESCc1cccc(OCCCCC(=O)N(C)Cc2cccnc2)c1
InChIInChI=1S/C19H24N2O2/c1-16-7-5-9-18(13-16)23-12-4-3-10-19(22)21(2)15-17-8-6-11-20-14-17/h5-9,11,13-14H,3-4,10,12,15H2,1-2H3
InChIKeyXBCQSRITGMQTHQ-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.60
Rot. Bonds8

About N-methyl-5-(3-methylphenoxy)-N-(pyridin-3-ylmethyl)pentanamide

N-methyl-5-(3-methylphenoxy)-N-(pyridin-3-ylmethyl)pentanamide (PubChem CID 47488024) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is N-methyl-5-(3-methylphenoxy)-N-(pyridin-3-ylmethyl)pentanamide.

Molecular Properties

Compound NameN-methyl-5-(3-methylphenoxy)-N-(pyridin-3-ylmethyl)pentanamide
PubChem CID47488024
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC NameN-methyl-5-(3-methylphenoxy)-N-(pyridin-3-ylmethyl)pentanamide
SMILESCc1cccc(OCCCCC(=O)N(C)Cc2cccnc2)c1
InChIInChI=1S/C19H24N2O2/c1-16-7-5-9-18(13-16)23-12-4-3-10-19(22)21(2)15-17-8-6-11-20-14-17/h5-9,11,13-14H,3-4,10,12,15H2,1-2H3
InChIKeyXBCQSRITGMQTHQ-UHFFFAOYSA-N
XLogP3.60
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-3-phenoxy-N-(pyridin-3-ylmethyl)propanamide
CID 110724694
4-methoxy-N-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 87010748
N-[(4-cyanophenyl)methyl]-N-methyl-4-(3-methylphenoxy)butanamide
CID 39858840
N-methyl-3-[(3-methylphenyl)methylsulfonyl]-N-(pyridin-3-ylmethyl)propanamide
CID 167975827
N-methyl-5-(3-methylphenoxy)-N-(3,3,3-trifluoropropyl)pentanamide
CID 86841292
4-(2-fluorophenoxy)-N-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 86822663
4-(4-acetyl-2-methoxyphenoxy)-N-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 86993083
N,N-dimethyl-3-(3-methylphenoxy)propanamide
CID 60637097
N-methyl-3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(pyridin-3-ylmethyl)propanamide
CID 86978707
3-(3-aminophenoxy)-N-methyl-N-(pyridin-4-ylmethyl)propanamide
CID 61095622
N-methyl-N-(pyridin-3-ylmethyl)-4-thiophen-2-ylbutanamide
CID 86932688
2-chloro-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 19420340

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(3-methylphenoxy)-N-(pyridin-3-ylmethyl)pentanamide?
The IUPAC name of N-methyl-5-(3-methylphenoxy)-N-(pyridin-3-ylmethyl)pentanamide (CID 47488024) is N-methyl-5-(3-methylphenoxy)-N-(pyridin-3-ylmethyl)pentanamide.
What is the SMILES notation for N-methyl-5-(3-methylphenoxy)-N-(pyridin-3-ylmethyl)pentanamide?
The canonical SMILES for N-methyl-5-(3-methylphenoxy)-N-(pyridin-3-ylmethyl)pentanamide is Cc1cccc(OCCCCC(=O)N(C)Cc2cccnc2)c1.
What is the InChIKey of N-methyl-5-(3-methylphenoxy)-N-(pyridin-3-ylmethyl)pentanamide?
The InChIKey is XBCQSRITGMQTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-16-7-5-9-18(13-16)23-12-4-3-10-19(22)21(2)15-17-8-6-11-20-14-17/h5-9,11,13-14H,3-4,10,12,15H2,1-2H3.
What are the key properties of N-methyl-5-(3-methylphenoxy)-N-(pyridin-3-ylmethyl)pentanamide?
N-methyl-5-(3-methylphenoxy)-N-(pyridin-3-ylmethyl)pentanamide has a molecular weight of 312.41 g/mol, XLogP of 3.60, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(3-methylphenoxy)-N-(pyridin-3-ylmethyl)pentanamide is sourced from PubChem (CID 47488024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).