5-amino-2-methyl-N-[4-(N-methylanilino)butyl]benzamide

C19H25N3O — CID 120645211

IUPAC5-amino-2-methyl-N-[4-(N-methylanilino)butyl]benzamide
SMILESCc1ccc(N)cc1C(=O)NCCCCN(C)c1ccccc1
InChIInChI=1S/C19H25N3O/c1-15-10-11-16(20)14-18(15)19(23)21-12-6-7-13-22(2)17-8-4-3-5-9-17/h3-5,8-11,14H,6-7,12-13,20H2,1-2H3,(H,21,23)
InChIKeyWKKNARISDZJWST-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.22
Rot. Bonds7

About 5-amino-2-methyl-N-[4-(N-methylanilino)butyl]benzamide

5-amino-2-methyl-N-[4-(N-methylanilino)butyl]benzamide (PubChem CID 120645211) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 5-amino-2-methyl-N-[4-(N-methylanilino)butyl]benzamide.

Molecular Properties

Compound Name5-amino-2-methyl-N-[4-(N-methylanilino)butyl]benzamide
PubChem CID120645211
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name5-amino-2-methyl-N-[4-(N-methylanilino)butyl]benzamide
SMILESCc1ccc(N)cc1C(=O)NCCCCN(C)c1ccccc1
InChIInChI=1S/C19H25N3O/c1-15-10-11-16(20)14-18(15)19(23)21-12-6-7-13-22(2)17-8-4-3-5-9-17/h3-5,8-11,14H,6-7,12-13,20H2,1-2H3,(H,21,23)
InChIKeyWKKNARISDZJWST-UHFFFAOYSA-N
XLogP3.22
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-methyl-N-(5-phenylpentyl)benzamide;hydrochloride
CID 120630670
5-(diethylsulfamoyl)-2-methyl-N-[3-(N-methylanilino)propyl]benzamide
CID 26177992
2,4,5-trimethyl-N-[2-(N-methylanilino)ethyl]benzamide
CID 100710814
2,4,6-trimethyl-N-[3-(N-methylanilino)propyl]benzamide
CID 112810441
methyl 7-[(5-amino-2-methylbenzoyl)amino]heptanoate
CID 120619661
2,4-dichloro-N-[3-(N-methylanilino)propyl]benzamide
CID 27746785
methyl 6-[(5-amino-2-methylbenzoyl)amino]hexanoate;hydrochloride
CID 120617889
N-[3-(N-methylanilino)propyl]benzamide
CID 18110891
2-bromo-N-[3-(N-methylanilino)propyl]-5-sulfamoylbenzamide
CID 25336077
2-(2-amino-2-oxoethyl)sulfanyl-N-[4-(N-methylanilino)butyl]benzamide
CID 60565666
4-chloro-2-iodo-N-[3-(N-methylanilino)propyl]benzamide
CID 39704149
2,5-dichloro-N-[3-(N-methylanilino)propyl]thiophene-3-carboxamide
CID 27746858

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-N-[4-(N-methylanilino)butyl]benzamide?
The IUPAC name of 5-amino-2-methyl-N-[4-(N-methylanilino)butyl]benzamide (CID 120645211) is 5-amino-2-methyl-N-[4-(N-methylanilino)butyl]benzamide.
What is the SMILES notation for 5-amino-2-methyl-N-[4-(N-methylanilino)butyl]benzamide?
The canonical SMILES for 5-amino-2-methyl-N-[4-(N-methylanilino)butyl]benzamide is Cc1ccc(N)cc1C(=O)NCCCCN(C)c1ccccc1.
What is the InChIKey of 5-amino-2-methyl-N-[4-(N-methylanilino)butyl]benzamide?
The InChIKey is WKKNARISDZJWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-15-10-11-16(20)14-18(15)19(23)21-12-6-7-13-22(2)17-8-4-3-5-9-17/h3-5,8-11,14H,6-7,12-13,20H2,1-2H3,(H,21,23).
What are the key properties of 5-amino-2-methyl-N-[4-(N-methylanilino)butyl]benzamide?
5-amino-2-methyl-N-[4-(N-methylanilino)butyl]benzamide has a molecular weight of 311.43 g/mol, XLogP of 3.22, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-N-[4-(N-methylanilino)butyl]benzamide is sourced from PubChem (CID 120645211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).