4-[(heptylamino)methyl]-N-methylbenzamide

C16H26N2O — CID 43114052

IUPAC4-[(heptylamino)methyl]-N-methylbenzamide
SMILESCCCCCCCNCc1ccc(C(=O)NC)cc1
InChIInChI=1S/C16H26N2O/c1-3-4-5-6-7-12-18-13-14-8-10-15(11-9-14)16(19)17-2/h8-11,18H,3-7,12-13H2,1-2H3,(H,17,19)
InChIKeyVCMWCAKAUXUXPH-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.11
Rot. Bonds9

About 4-[(heptylamino)methyl]-N-methylbenzamide

4-[(heptylamino)methyl]-N-methylbenzamide (PubChem CID 43114052) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-[(heptylamino)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[(heptylamino)methyl]-N-methylbenzamide
PubChem CID43114052
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name4-[(heptylamino)methyl]-N-methylbenzamide
SMILESCCCCCCCNCc1ccc(C(=O)NC)cc1
InChIInChI=1S/C16H26N2O/c1-3-4-5-6-7-12-18-13-14-8-10-15(11-9-14)16(19)17-2/h8-11,18H,3-7,12-13H2,1-2H3,(H,17,19)
InChIKeyVCMWCAKAUXUXPH-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
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-[4-(butylaminomethyl)phenyl]octan-1-one
CID 142267372
4-[(2-methoxyethylamino)methyl]-N-methylbenzamide
CID 60732716
4-[[2-(hexadecylamino)acetyl]amino]-N-methylbenzamide
CID 54808915
N-methyl-4-[(nonan-2-ylamino)methyl]benzamide
CID 43129912
3-[(4-nonanoylphenyl)methylamino]propylphosphonic acid
CID 10172513
[4-[(nonylamino)methyl]phenyl]methanol
CID 107230873
4-[(nonadecylamino)methyl]phenol
CID 70039599
N-methyl-4-[(3-pyrazol-1-ylpropylamino)methyl]benzamide
CID 115592031
4-[(heptadecylamino)methyl]benzenesulfonic acid
CID 23547340
4-[(2-methylhydrazinyl)methyl]-N-pentylbenzamide
CID 54400286
N-dodecyl-4-[[(4-methylsulfonylphenyl)methylamino]methyl]benzamide
CID 69291989
N-[(4-methylphenyl)methyl]octan-1-amine;hydrochloride
CID 17331169

Frequently Asked Questions

What is the IUPAC name of 4-[(heptylamino)methyl]-N-methylbenzamide?
The IUPAC name of 4-[(heptylamino)methyl]-N-methylbenzamide (CID 43114052) is 4-[(heptylamino)methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[(heptylamino)methyl]-N-methylbenzamide?
The canonical SMILES for 4-[(heptylamino)methyl]-N-methylbenzamide is CCCCCCCNCc1ccc(C(=O)NC)cc1.
What is the InChIKey of 4-[(heptylamino)methyl]-N-methylbenzamide?
The InChIKey is VCMWCAKAUXUXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-4-5-6-7-12-18-13-14-8-10-15(11-9-14)16(19)17-2/h8-11,18H,3-7,12-13H2,1-2H3,(H,17,19).
What are the key properties of 4-[(heptylamino)methyl]-N-methylbenzamide?
4-[(heptylamino)methyl]-N-methylbenzamide has a molecular weight of 262.40 g/mol, XLogP of 3.11, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(heptylamino)methyl]-N-methylbenzamide is sourced from PubChem (CID 43114052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).