N-methyl-3-(octylamino)benzamide

C16H26N2O — CID 43130223

IUPACN-methyl-3-(octylamino)benzamide
SMILESCCCCCCCCNc1cccc(C(=O)NC)c1
InChIInChI=1S/C16H26N2O/c1-3-4-5-6-7-8-12-18-15-11-9-10-14(13-15)16(19)17-2/h9-11,13,18H,3-8,12H2,1-2H3,(H,17,19)
InChIKeyJBBWCZXSKJNRNV-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.82
Rot. Bonds9

About N-methyl-3-(octylamino)benzamide

N-methyl-3-(octylamino)benzamide (PubChem CID 43130223) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-methyl-3-(octylamino)benzamide.

Molecular Properties

Compound NameN-methyl-3-(octylamino)benzamide
PubChem CID43130223
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-methyl-3-(octylamino)benzamide
SMILESCCCCCCCCNc1cccc(C(=O)NC)c1
InChIInChI=1S/C16H26N2O/c1-3-4-5-6-7-8-12-18-15-11-9-10-14(13-15)16(19)17-2/h9-11,13,18H,3-8,12H2,1-2H3,(H,17,19)
InChIKeyJBBWCZXSKJNRNV-UHFFFAOYSA-N
XLogP3.82
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N,3-N-dipentylbenzene-1,3-diamine
CID 19708209
3-[[2-[3-(butylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methylbenzamide
CID 54839900
[3-oxo-3-[3-(pentylamino)phenyl]propyl]carbamic acid
CID 67296625
3-[[2-(3-heptoxyanilino)acetyl]amino]-N-methylbenzamide
CID 54829228
N-[3-(octylamino)phenyl]propanamide
CID 43130255
3-bromo-N-octylaniline
CID 43129310
3-(heptan-3-ylamino)-N-methylbenzamide
CID 63944894
N-methyl-2-[3-(octylamino)phenoxy]acetamide
CID 43693355
1-N-methyl-3-N-pentylbenzene-1,3-diamine
CID 117027123
N-butyl-3-[[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54833663
3-methyl-N-[4-(pentylamino)phenyl]benzamide
CID 112985190
3-bromo-N-dodecylbenzamide
CID 603918

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(octylamino)benzamide?
The IUPAC name of N-methyl-3-(octylamino)benzamide (CID 43130223) is N-methyl-3-(octylamino)benzamide.
What is the SMILES notation for N-methyl-3-(octylamino)benzamide?
The canonical SMILES for N-methyl-3-(octylamino)benzamide is CCCCCCCCNc1cccc(C(=O)NC)c1.
What is the InChIKey of N-methyl-3-(octylamino)benzamide?
The InChIKey is JBBWCZXSKJNRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-4-5-6-7-8-12-18-15-11-9-10-14(13-15)16(19)17-2/h9-11,13,18H,3-8,12H2,1-2H3,(H,17,19).
What are the key properties of N-methyl-3-(octylamino)benzamide?
N-methyl-3-(octylamino)benzamide has a molecular weight of 262.40 g/mol, XLogP of 3.82, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(octylamino)benzamide is sourced from PubChem (CID 43130223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).