N-[3-(dimethylamino)propyl]-5-methyl-2-(propylamino)benzamide

C16H27N3O — CID 62510706

IUPACN-[3-(dimethylamino)propyl]-5-methyl-2-(propylamino)benzamide
SMILESCCCNc1ccc(C)cc1C(=O)NCCCN(C)C
InChIInChI=1S/C16H27N3O/c1-5-9-17-15-8-7-13(2)12-14(15)16(20)18-10-6-11-19(3)4/h7-8,12,17H,5-6,9-11H2,1-4H3,(H,18,20)
InChIKeyMBJZXCPRPUZHNL-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.50
Rot. Bonds8

About N-[3-(dimethylamino)propyl]-5-methyl-2-(propylamino)benzamide

N-[3-(dimethylamino)propyl]-5-methyl-2-(propylamino)benzamide (PubChem CID 62510706) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-5-methyl-2-(propylamino)benzamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-5-methyl-2-(propylamino)benzamide
PubChem CID62510706
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-[3-(dimethylamino)propyl]-5-methyl-2-(propylamino)benzamide
SMILESCCCNc1ccc(C)cc1C(=O)NCCCN(C)C
InChIInChI=1S/C16H27N3O/c1-5-9-17-15-8-7-13(2)12-14(15)16(20)18-10-6-11-19(3)4/h7-8,12,17H,5-6,9-11H2,1-4H3,(H,18,20)
InChIKeyMBJZXCPRPUZHNL-UHFFFAOYSA-N
XLogP2.50
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-N-(3-methylsulfanylpropyl)-2-(propylamino)benzamide
CID 63962306
2-(ethylamino)-5-methyl-N-propylbenzamide
CID 62509654
N-[3-(dimethylamino)propyl]-2,4-dimethylbenzamide
CID 19656256
N-[3-(dimethylamino)propyl]-3-(propylamino)pyridine-4-carboxamide
CID 105068347
5-methyl-N-(3-methylbutan-2-yl)-2-(propylamino)benzamide
CID 55083225
N-[2-(furan-2-yl)ethyl]-5-methyl-2-(propylamino)benzamide
CID 62510582
N,5-dimethyl-N-(2-methylpropyl)-2-(propylamino)benzamide
CID 55083322
2-[3-(dimethylamino)propylcarbamoylamino]-5-methylbenzoic acid
CID 61189901
N-ethyl-5-methyl-N-(2-methylpropyl)-2-(propylamino)benzamide
CID 62509850
N-[3-(dimethylamino)propyl]-2-(4-hydroxybut-1-ynyl)-5-methylbenzamide
CID 81112055
5-methyl-2-(propylamino)-N-(thiophen-2-ylmethyl)benzamide
CID 62510534
N-[2-(dimethylamino)ethyl]-2-methoxy-5-methylbenzamide
CID 110761060

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-5-methyl-2-(propylamino)benzamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-5-methyl-2-(propylamino)benzamide (CID 62510706) is N-[3-(dimethylamino)propyl]-5-methyl-2-(propylamino)benzamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-5-methyl-2-(propylamino)benzamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-5-methyl-2-(propylamino)benzamide is CCCNc1ccc(C)cc1C(=O)NCCCN(C)C.
What is the InChIKey of N-[3-(dimethylamino)propyl]-5-methyl-2-(propylamino)benzamide?
The InChIKey is MBJZXCPRPUZHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-5-9-17-15-8-7-13(2)12-14(15)16(20)18-10-6-11-19(3)4/h7-8,12,17H,5-6,9-11H2,1-4H3,(H,18,20).
What are the key properties of N-[3-(dimethylamino)propyl]-5-methyl-2-(propylamino)benzamide?
N-[3-(dimethylamino)propyl]-5-methyl-2-(propylamino)benzamide has a molecular weight of 277.41 g/mol, XLogP of 2.50, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-5-methyl-2-(propylamino)benzamide is sourced from PubChem (CID 62510706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).