4-[(2-hydroxypentylamino)methyl]-3-methylbenzamide

C14H22N2O2 — CID 114480836

IUPAC4-[(2-hydroxypentylamino)methyl]-3-methylbenzamide
SMILESCCCC(O)CNCc1ccc(C(N)=O)cc1C
InChIInChI=1S/C14H22N2O2/c1-3-4-13(17)9-16-8-12-6-5-11(14(15)18)7-10(12)2/h5-7,13,16-17H,3-4,8-9H2,1-2H3,(H2,15,18)
InChIKeyXQCUVCSCPQTQAN-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.34
Rot. Bonds7

About 4-[(2-hydroxypentylamino)methyl]-3-methylbenzamide

4-[(2-hydroxypentylamino)methyl]-3-methylbenzamide (PubChem CID 114480836) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 4-[(2-hydroxypentylamino)methyl]-3-methylbenzamide.

Molecular Properties

Compound Name4-[(2-hydroxypentylamino)methyl]-3-methylbenzamide
PubChem CID114480836
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name4-[(2-hydroxypentylamino)methyl]-3-methylbenzamide
SMILESCCCC(O)CNCc1ccc(C(N)=O)cc1C
InChIInChI=1S/C14H22N2O2/c1-3-4-13(17)9-16-8-12-6-5-11(14(15)18)7-10(12)2/h5-7,13,16-17H,3-4,8-9H2,1-2H3,(H2,15,18)
InChIKeyXQCUVCSCPQTQAN-UHFFFAOYSA-N
XLogP1.34
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2,4-dimethylphenyl)methylamino]pentan-2-ol
CID 111118848
4-[(2,2-dimethylpropylamino)methyl]-3-methylbenzamide
CID 114479983
4-[[(2-ethyl-2-hydroxybutyl)amino]methyl]-3-methylbenzamide
CID 114480433
3-methyl-4-[(propan-2-ylamino)methyl]benzamide
CID 114479524
4-(anilinomethyl)-3-methylbenzamide
CID 114479545
4-[[(4-hydroxyphenyl)methylamino]methyl]-3-methylbenzamide
CID 114480871
4-[[(5-amino-5-oxopentyl)amino]methyl]-3-methylbenzamide
CID 106237505
4-[(3-ethylpentan-3-ylamino)methyl]-3-methylbenzamide
CID 114480428
4-[(5-hydroxypentylamino)methyl]-3-methylbenzamide
CID 107317528
4-[[(1-hydroxycyclobutyl)methylamino]methyl]-3-methylbenzamide
CID 114480854
4-[[(3-fluorophenyl)methylamino]methyl]-3-methylbenzamide
CID 114479786
3-methyl-4-[[(2-oxo-2-pyrrolidin-1-ylethyl)amino]methyl]benzamide
CID 114480710

Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxypentylamino)methyl]-3-methylbenzamide?
The IUPAC name of 4-[(2-hydroxypentylamino)methyl]-3-methylbenzamide (CID 114480836) is 4-[(2-hydroxypentylamino)methyl]-3-methylbenzamide.
What is the SMILES notation for 4-[(2-hydroxypentylamino)methyl]-3-methylbenzamide?
The canonical SMILES for 4-[(2-hydroxypentylamino)methyl]-3-methylbenzamide is CCCC(O)CNCc1ccc(C(N)=O)cc1C.
What is the InChIKey of 4-[(2-hydroxypentylamino)methyl]-3-methylbenzamide?
The InChIKey is XQCUVCSCPQTQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-4-13(17)9-16-8-12-6-5-11(14(15)18)7-10(12)2/h5-7,13,16-17H,3-4,8-9H2,1-2H3,(H2,15,18).
What are the key properties of 4-[(2-hydroxypentylamino)methyl]-3-methylbenzamide?
4-[(2-hydroxypentylamino)methyl]-3-methylbenzamide has a molecular weight of 250.34 g/mol, XLogP of 1.34, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxypentylamino)methyl]-3-methylbenzamide is sourced from PubChem (CID 114480836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).