4-amino-N-(5-hydroxypentyl)-2-methylbenzamide

C13H20N2O2 — CID 107316298

IUPAC4-amino-N-(5-hydroxypentyl)-2-methylbenzamide
SMILESCc1cc(N)ccc1C(=O)NCCCCCO
InChIInChI=1S/C13H20N2O2/c1-10-9-11(14)5-6-12(10)13(17)15-7-3-2-4-8-16/h5-6,9,16H,2-4,7-8,14H2,1H3,(H,15,17)
InChIKeyPUKKJEZEKUSWTO-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.47
Rot. Bonds6

About 4-amino-N-(5-hydroxypentyl)-2-methylbenzamide

4-amino-N-(5-hydroxypentyl)-2-methylbenzamide (PubChem CID 107316298) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 4-amino-N-(5-hydroxypentyl)-2-methylbenzamide.

Molecular Properties

Compound Name4-amino-N-(5-hydroxypentyl)-2-methylbenzamide
PubChem CID107316298
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name4-amino-N-(5-hydroxypentyl)-2-methylbenzamide
SMILESCc1cc(N)ccc1C(=O)NCCCCCO
InChIInChI=1S/C13H20N2O2/c1-10-9-11(14)5-6-12(10)13(17)15-7-3-2-4-8-16/h5-6,9,16H,2-4,7-8,14H2,1H3,(H,15,17)
InChIKeyPUKKJEZEKUSWTO-UHFFFAOYSA-N
XLogP1.47
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.47
H-Bond Donors ≤ 53
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

4-fluoro-N-(4-hydroxybutyl)-2-methylbenzamide
CID 106841516
4-amino-N-[2-(carbamoylamino)ethyl]-2-methylbenzamide
CID 83108050
5-amino-N-(4-hydroxybutyl)-2-methoxybenzamide
CID 106840078
4-amino-2-chloro-N-(3-hydroxypropyl)benzamide
CID 43167675
5-amino-N-(5-hydroxypentyl)-1H-indole-3-carboxamide
CID 107316240
5-fluoro-N-(6-hydroxyhexyl)-2-methylbenzamide
CID 103919616
2,4-diamino-N-hexylbenzamide
CID 61111728
N-(5-hydroxypentyl)-2-methyl-5-sulfanylbenzamide
CID 107323824
4-amino-N-[2-(2-aminoethoxy)ethyl]-2-methylbenzamide
CID 167303302
4-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylbenzamide
CID 114536121
5-amino-N-(3-hydroxypropyl)-2,4-dimethylbenzamide
CID 102704987
methyl 7-[(5-amino-2-methylbenzoyl)amino]heptanoate
CID 120619661

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-hydroxypentyl)-2-methylbenzamide?
The IUPAC name of 4-amino-N-(5-hydroxypentyl)-2-methylbenzamide (CID 107316298) is 4-amino-N-(5-hydroxypentyl)-2-methylbenzamide.
What is the SMILES notation for 4-amino-N-(5-hydroxypentyl)-2-methylbenzamide?
The canonical SMILES for 4-amino-N-(5-hydroxypentyl)-2-methylbenzamide is Cc1cc(N)ccc1C(=O)NCCCCCO.
What is the InChIKey of 4-amino-N-(5-hydroxypentyl)-2-methylbenzamide?
The InChIKey is PUKKJEZEKUSWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10-9-11(14)5-6-12(10)13(17)15-7-3-2-4-8-16/h5-6,9,16H,2-4,7-8,14H2,1H3,(H,15,17).
What are the key properties of 4-amino-N-(5-hydroxypentyl)-2-methylbenzamide?
4-amino-N-(5-hydroxypentyl)-2-methylbenzamide has a molecular weight of 236.31 g/mol, XLogP of 1.47, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(5-hydroxypentyl)-2-methylbenzamide is sourced from PubChem (CID 107316298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).