N-heptyl-N-(3-methylphenyl)propanamide

C17H27NO — CID 167100434

IUPACN-heptyl-N-(3-methylphenyl)propanamide
SMILESCCCCCCCN(C(=O)CC)c1cccc(C)c1
InChIInChI=1S/C17H27NO/c1-4-6-7-8-9-13-18(17(19)5-2)16-12-10-11-15(3)14-16/h10-12,14H,4-9,13H2,1-3H3
InChIKeyADGXMWNSECYUKR-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.71
Rot. Bonds8

About N-heptyl-N-(3-methylphenyl)propanamide

N-heptyl-N-(3-methylphenyl)propanamide (PubChem CID 167100434) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-heptyl-N-(3-methylphenyl)propanamide.

Molecular Properties

Compound NameN-heptyl-N-(3-methylphenyl)propanamide
PubChem CID167100434
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-heptyl-N-(3-methylphenyl)propanamide
SMILESCCCCCCCN(C(=O)CC)c1cccc(C)c1
InChIInChI=1S/C17H27NO/c1-4-6-7-8-9-13-18(17(19)5-2)16-12-10-11-15(3)14-16/h10-12,14H,4-9,13H2,1-3H3
InChIKeyADGXMWNSECYUKR-UHFFFAOYSA-N
XLogP4.71
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methylphenyl)-1-pentylurea
CID 3032149
3-(3-methyl-N-propanoylanilino)propanoic acid
CID 28764164
N-(3,4-dihydroxyphenyl)-N-octadecylpropanamide
CID 54000913
N-(3,4-dihydroxyphenyl)-N-hexylpropanamide
CID 54572400
3-[butyl(methyl)amino]-N-ethyl-N-(3-methylphenyl)propanamide
CID 109032470
N-(3,4-dihydroxyphenyl)-N-pentylpropanamide
CID 54195244
N-butyl-2,2-dimethyl-N-(3-methylphenyl)butanamide
CID 71107115
2-(N-acetyl-3-methylanilino)-N-butyl-N-methylacetamide
CID 113167534
N-(3-aminopropyl)-2-ethoxy-N-(3-methylphenyl)acetamide
CID 43135951
4-methyl-N-(3-methylphenyl)-N-propylbenzamide
CID 17319549
N-ethyl-N-(3-methylphenyl)-3-(pentylamino)propanamide
CID 109032323
2-(N-acetyl-3-methylanilino)-N,N-dipropylacetamide
CID 113167538

Frequently Asked Questions

What is the IUPAC name of N-heptyl-N-(3-methylphenyl)propanamide?
The IUPAC name of N-heptyl-N-(3-methylphenyl)propanamide (CID 167100434) is N-heptyl-N-(3-methylphenyl)propanamide.
What is the SMILES notation for N-heptyl-N-(3-methylphenyl)propanamide?
The canonical SMILES for N-heptyl-N-(3-methylphenyl)propanamide is CCCCCCCN(C(=O)CC)c1cccc(C)c1.
What is the InChIKey of N-heptyl-N-(3-methylphenyl)propanamide?
The InChIKey is ADGXMWNSECYUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-4-6-7-8-9-13-18(17(19)5-2)16-12-10-11-15(3)14-16/h10-12,14H,4-9,13H2,1-3H3.
What are the key properties of N-heptyl-N-(3-methylphenyl)propanamide?
N-heptyl-N-(3-methylphenyl)propanamide has a molecular weight of 261.41 g/mol, XLogP of 4.71, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptyl-N-(3-methylphenyl)propanamide is sourced from PubChem (CID 167100434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).