N-methyl-4-pentoxy-N-[phenyl(pyridin-2-yl)methyl]benzamide

C25H28N2O2 — CID 60530727

IUPACN-methyl-4-pentoxy-N-[phenyl(pyridin-2-yl)methyl]benzamide
SMILESCCCCCOc1ccc(C(=O)N(C)C(c2ccccc2)c2ccccn2)cc1
InChIInChI=1S/C25H28N2O2/c1-3-4-10-19-29-22-16-14-21(15-17-22)25(28)27(2)24(20-11-6-5-7-12-20)23-13-8-9-18-26-23/h5-9,11-18,24H,3-4,10,19H2,1-2H3
InChIKeyIYDLCZYWSWCVBV-UHFFFAOYSA-N
MW388.51 g/mol
LogP5.51
Rot. Bonds9

About N-methyl-4-pentoxy-N-[phenyl(pyridin-2-yl)methyl]benzamide

N-methyl-4-pentoxy-N-[phenyl(pyridin-2-yl)methyl]benzamide (PubChem CID 60530727) has the molecular formula C25H28N2O2 and a molecular weight of 388.51 g/mol. Its IUPAC name is N-methyl-4-pentoxy-N-[phenyl(pyridin-2-yl)methyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-pentoxy-N-[phenyl(pyridin-2-yl)methyl]benzamide
PubChem CID60530727
Molecular FormulaC25H28N2O2
Molecular Weight388.51 g/mol
Exact Mass388.22
IUPAC NameN-methyl-4-pentoxy-N-[phenyl(pyridin-2-yl)methyl]benzamide
SMILESCCCCCOc1ccc(C(=O)N(C)C(c2ccccc2)c2ccccn2)cc1
InChIInChI=1S/C25H28N2O2/c1-3-4-10-19-29-22-16-14-21(15-17-22)25(28)27(2)24(20-11-6-5-7-12-20)23-13-8-9-18-26-23/h5-9,11-18,24H,3-4,10,19H2,1-2H3
InChIKeyIYDLCZYWSWCVBV-UHFFFAOYSA-N
XLogP5.51
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.51
LogP ≤ 55.51
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

4-(benzenesulfonamido)-N-methyl-N-[phenyl(pyridin-2-yl)methyl]benzamide
CID 55767365
3-methoxy-N-methyl-N-[phenyl(pyridin-2-yl)methyl]-4-propan-2-yloxybenzamide
CID 55767493
4-(2-ethoxyphenoxy)-N-methyl-N-[phenyl(pyridin-2-yl)methyl]butanamide
CID 55767816
[4-[hydroxy(phenyl)methyl]phenyl]-(4-octoxyphenyl)methanone
CID 57009230
[4-[(4-nonoxyphenyl)-pyridin-2-ylmethyl]phenyl] acetate
CID 71491789
1,5-bis(4-pentoxyphenyl)-3-phenylpentane-1,5-dione
CID 3785979
N-(1-bromopropan-2-yl)-4-butoxy-N-methylbenzamide
CID 104555948
1-phenylpropyl 4-pentoxybenzoate
CID 54114898
4-butoxy-N-[(2R)-2-(dimethylamino)-2-phenylethyl]benzamide
CID 2433841
N-(2-methoxyphenyl)-N-methyl-4-pentoxybenzamide
CID 52701059
4-(2-ethoxyethoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylbenzamide
CID 54856940
ethane;4-octoxybenzoic acid
CID 144740890

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-pentoxy-N-[phenyl(pyridin-2-yl)methyl]benzamide?
The IUPAC name of N-methyl-4-pentoxy-N-[phenyl(pyridin-2-yl)methyl]benzamide (CID 60530727) is N-methyl-4-pentoxy-N-[phenyl(pyridin-2-yl)methyl]benzamide.
What is the SMILES notation for N-methyl-4-pentoxy-N-[phenyl(pyridin-2-yl)methyl]benzamide?
The canonical SMILES for N-methyl-4-pentoxy-N-[phenyl(pyridin-2-yl)methyl]benzamide is CCCCCOc1ccc(C(=O)N(C)C(c2ccccc2)c2ccccn2)cc1.
What is the InChIKey of N-methyl-4-pentoxy-N-[phenyl(pyridin-2-yl)methyl]benzamide?
The InChIKey is IYDLCZYWSWCVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O2/c1-3-4-10-19-29-22-16-14-21(15-17-22)25(28)27(2)24(20-11-6-5-7-12-20)23-13-8-9-18-26-23/h5-9,11-18,24H,3-4,10,19H2,1-2H3.
What are the key properties of N-methyl-4-pentoxy-N-[phenyl(pyridin-2-yl)methyl]benzamide?
N-methyl-4-pentoxy-N-[phenyl(pyridin-2-yl)methyl]benzamide has a molecular weight of 388.51 g/mol, XLogP of 5.51, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-pentoxy-N-[phenyl(pyridin-2-yl)methyl]benzamide is sourced from PubChem (CID 60530727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).