N-(2-methylpropyl)-N-[(3-phenylmethoxyphenyl)methyl]octanamide

C26H37NO2 — CID 42725504

IUPACN-(2-methylpropyl)-N-[(3-phenylmethoxyphenyl)methyl]octanamide
SMILESCCCCCCCC(=O)N(Cc1cccc(OCc2ccccc2)c1)CC(C)C
InChIInChI=1S/C26H37NO2/c1-4-5-6-7-11-17-26(28)27(19-22(2)3)20-24-15-12-16-25(18-24)29-21-23-13-9-8-10-14-23/h8-10,12-16,18,22H,4-7,11,17,19-21H2,1-3H3
InChIKeyQZMBZHFQUNSRKD-UHFFFAOYSA-N
MW395.59 g/mol
LogP6.61
Rot. Bonds13

About N-(2-methylpropyl)-N-[(3-phenylmethoxyphenyl)methyl]octanamide

N-(2-methylpropyl)-N-[(3-phenylmethoxyphenyl)methyl]octanamide (PubChem CID 42725504) has the molecular formula C26H37NO2 and a molecular weight of 395.59 g/mol. Its IUPAC name is N-(2-methylpropyl)-N-[(3-phenylmethoxyphenyl)methyl]octanamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-N-[(3-phenylmethoxyphenyl)methyl]octanamide
PubChem CID42725504
Molecular FormulaC26H37NO2
Molecular Weight395.59 g/mol
Exact Mass395.28
IUPAC NameN-(2-methylpropyl)-N-[(3-phenylmethoxyphenyl)methyl]octanamide
SMILESCCCCCCCC(=O)N(Cc1cccc(OCc2ccccc2)c1)CC(C)C
InChIInChI=1S/C26H37NO2/c1-4-5-6-7-11-17-26(28)27(19-22(2)3)20-24-15-12-16-25(18-24)29-21-23-13-9-8-10-14-23/h8-10,12-16,18,22H,4-7,11,17,19-21H2,1-3H3
InChIKeyQZMBZHFQUNSRKD-UHFFFAOYSA-N
XLogP6.61
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.59
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[3-[[2-methylpropyl(octanoyl)amino]methyl]phenyl] ethanesulfonate
CID 4113115
[3-[[hexanoyl(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate
CID 4574820
N-(2-methylpropyl)-N-[(3-phenylmethoxyphenyl)methyl]furan-2-carboxamide
CID 42725509
3-methoxy-N-(2-methylpropyl)-N-[(3-phenylmethoxyphenyl)methyl]benzamide
CID 42725516
[4-[[2-methylpropyl(nonanoyl)amino]methyl]phenyl] methanesulfonate
CID 42776013
[3-[[2-methylpropyl-(2-phenylacetyl)amino]methyl]phenyl] ethanesulfonate
CID 4197526
N-[(3-phenoxyphenyl)methyl]-N-(1-phenylethyl)hexanamide
CID 42702967
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)hexanamide
CID 3581124
phenoxymethylbenzene;tetradecane
CID 175006528
[3-[[nonanoyl(propan-2-yl)amino]methyl]phenyl] methanesulfonate
CID 4197524
N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methylpropyl)nonanamide
CID 42773042
1-[2,4-bis(phenylmethoxy)phenyl]octan-1-one
CID 141320093

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-N-[(3-phenylmethoxyphenyl)methyl]octanamide?
The IUPAC name of N-(2-methylpropyl)-N-[(3-phenylmethoxyphenyl)methyl]octanamide (CID 42725504) is N-(2-methylpropyl)-N-[(3-phenylmethoxyphenyl)methyl]octanamide.
What is the SMILES notation for N-(2-methylpropyl)-N-[(3-phenylmethoxyphenyl)methyl]octanamide?
The canonical SMILES for N-(2-methylpropyl)-N-[(3-phenylmethoxyphenyl)methyl]octanamide is CCCCCCCC(=O)N(Cc1cccc(OCc2ccccc2)c1)CC(C)C.
What is the InChIKey of N-(2-methylpropyl)-N-[(3-phenylmethoxyphenyl)methyl]octanamide?
The InChIKey is QZMBZHFQUNSRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37NO2/c1-4-5-6-7-11-17-26(28)27(19-22(2)3)20-24-15-12-16-25(18-24)29-21-23-13-9-8-10-14-23/h8-10,12-16,18,22H,4-7,11,17,19-21H2,1-3H3.
What are the key properties of N-(2-methylpropyl)-N-[(3-phenylmethoxyphenyl)methyl]octanamide?
N-(2-methylpropyl)-N-[(3-phenylmethoxyphenyl)methyl]octanamide has a molecular weight of 395.59 g/mol, XLogP of 6.61, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-N-[(3-phenylmethoxyphenyl)methyl]octanamide is sourced from PubChem (CID 42725504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).