2-amino-N-(5-hydroxypentyl)-N,5-dimethylbenzamide

C14H22N2O2 — CID 107197361

IUPAC2-amino-N-(5-hydroxypentyl)-N,5-dimethylbenzamide
SMILESCc1ccc(N)c(C(=O)N(C)CCCCCO)c1
InChIInChI=1S/C14H22N2O2/c1-11-6-7-13(15)12(10-11)14(18)16(2)8-4-3-5-9-17/h6-7,10,17H,3-5,8-9,15H2,1-2H3
InChIKeyBBDUEVYVQCDTDO-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.81
Rot. Bonds6

About 2-amino-N-(5-hydroxypentyl)-N,5-dimethylbenzamide

2-amino-N-(5-hydroxypentyl)-N,5-dimethylbenzamide (PubChem CID 107197361) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-amino-N-(5-hydroxypentyl)-N,5-dimethylbenzamide.

Molecular Properties

Compound Name2-amino-N-(5-hydroxypentyl)-N,5-dimethylbenzamide
PubChem CID107197361
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-amino-N-(5-hydroxypentyl)-N,5-dimethylbenzamide
SMILESCc1ccc(N)c(C(=O)N(C)CCCCCO)c1
InChIInChI=1S/C14H22N2O2/c1-11-6-7-13(15)12(10-11)14(18)16(2)8-4-3-5-9-17/h6-7,10,17H,3-5,8-9,15H2,1-2H3
InChIKeyBBDUEVYVQCDTDO-UHFFFAOYSA-N
XLogP1.81
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.81
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-bromo-N-(5-hydroxypentyl)-N,2-dimethylbenzamide
CID 107199883
5-amino-2,4-difluoro-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107197364
2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N,5-dimethylbenzamide
CID 113475389
5-amino-2-fluoro-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107197368
2-amino-N,5-dimethyl-N-[(2-methylphenyl)methyl]benzamide
CID 62073809
5-amino-2-fluoro-N-(5-hydroxypentyl)-N,3-dimethylbenzamide
CID 107197446
4-fluoro-N-(5-hydroxypentyl)-N,2-dimethylbenzamide
CID 107199071
3-bromo-N-(5-hydroxypentyl)-N,2-dimethylbenzamide
CID 107199925
5-[(2,5-dimethylphenyl)methyl-methylamino]pentan-1-ol
CID 106547731
2-hydroxy-N-(2-hydroxyethyl)-N,5-dimethylbenzamide
CID 60652527
2-amino-5-methyl-N,N-dipropylbenzamide
CID 62073624
2-amino-N,5-dimethyl-N-(2-methylbutan-2-yl)benzamide
CID 63962505

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-hydroxypentyl)-N,5-dimethylbenzamide?
The IUPAC name of 2-amino-N-(5-hydroxypentyl)-N,5-dimethylbenzamide (CID 107197361) is 2-amino-N-(5-hydroxypentyl)-N,5-dimethylbenzamide.
What is the SMILES notation for 2-amino-N-(5-hydroxypentyl)-N,5-dimethylbenzamide?
The canonical SMILES for 2-amino-N-(5-hydroxypentyl)-N,5-dimethylbenzamide is Cc1ccc(N)c(C(=O)N(C)CCCCCO)c1.
What is the InChIKey of 2-amino-N-(5-hydroxypentyl)-N,5-dimethylbenzamide?
The InChIKey is BBDUEVYVQCDTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-11-6-7-13(15)12(10-11)14(18)16(2)8-4-3-5-9-17/h6-7,10,17H,3-5,8-9,15H2,1-2H3.
What are the key properties of 2-amino-N-(5-hydroxypentyl)-N,5-dimethylbenzamide?
2-amino-N-(5-hydroxypentyl)-N,5-dimethylbenzamide has a molecular weight of 250.34 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-hydroxypentyl)-N,5-dimethylbenzamide is sourced from PubChem (CID 107197361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).