N-[2-[(dimethylamino)methyl]phenyl]-4-hydroxypentanamide

C14H22N2O2 — CID 79204978

IUPACN-[2-[(dimethylamino)methyl]phenyl]-4-hydroxypentanamide
SMILESCC(O)CCC(=O)Nc1ccccc1CN(C)C
InChIInChI=1S/C14H22N2O2/c1-11(17)8-9-14(18)15-13-7-5-4-6-12(13)10-16(2)3/h4-7,11,17H,8-10H2,1-3H3,(H,15,18)
InChIKeyPRPRZPZZTJXXME-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.85
Rot. Bonds6

About N-[2-[(dimethylamino)methyl]phenyl]-4-hydroxypentanamide

N-[2-[(dimethylamino)methyl]phenyl]-4-hydroxypentanamide (PubChem CID 79204978) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-[2-[(dimethylamino)methyl]phenyl]-4-hydroxypentanamide.

Molecular Properties

Compound NameN-[2-[(dimethylamino)methyl]phenyl]-4-hydroxypentanamide
PubChem CID79204978
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-[2-[(dimethylamino)methyl]phenyl]-4-hydroxypentanamide
SMILESCC(O)CCC(=O)Nc1ccccc1CN(C)C
InChIInChI=1S/C14H22N2O2/c1-11(17)8-9-14(18)15-13-7-5-4-6-12(13)10-16(2)3/h4-7,11,17H,8-10H2,1-3H3,(H,15,18)
InChIKeyPRPRZPZZTJXXME-UHFFFAOYSA-N
XLogP1.85
TPSA52.57 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 ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-N-[2-[(dimethylamino)methyl]phenyl]hexanamide
CID 82848561
2-amino-N-[2-[(dimethylamino)methyl]phenyl]acetamide
CID 43695681
N-[2-[(dimethylamino)methyl]phenyl]-4-(methylamino)butanamide
CID 54924337
4-hydroxy-N-(2-methylphenyl)pentanamide
CID 79017195
N-[2-[(dimethylamino)methyl]phenyl]acetamide;ethane
CID 142252989
2-cyano-N-[2-[(dimethylamino)methyl]phenyl]acetamide
CID 110470101
N-(2-ethylphenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide
CID 111488425
N-[2-[(dimethylamino)methyl]phenyl]-2-ethoxyacetamide
CID 60763631
2-amino-N-[2-[(dimethylamino)methyl]phenyl]pentanamide
CID 43695727
4-amino-N-[2-[(dimethylamino)methyl]phenyl]-3-methoxybutanamide
CID 103154440
tert-butyl N-methyl-N-[[2-(4-methylpentanoylamino)phenyl]methyl]carbamate
CID 60595393
3-[3-hydroxybutyl(methyl)amino]-N-(2-methylsulfanylphenyl)propanamide
CID 111496944

Frequently Asked Questions

What is the IUPAC name of N-[2-[(dimethylamino)methyl]phenyl]-4-hydroxypentanamide?
The IUPAC name of N-[2-[(dimethylamino)methyl]phenyl]-4-hydroxypentanamide (CID 79204978) is N-[2-[(dimethylamino)methyl]phenyl]-4-hydroxypentanamide.
What is the SMILES notation for N-[2-[(dimethylamino)methyl]phenyl]-4-hydroxypentanamide?
The canonical SMILES for N-[2-[(dimethylamino)methyl]phenyl]-4-hydroxypentanamide is CC(O)CCC(=O)Nc1ccccc1CN(C)C.
What is the InChIKey of N-[2-[(dimethylamino)methyl]phenyl]-4-hydroxypentanamide?
The InChIKey is PRPRZPZZTJXXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-11(17)8-9-14(18)15-13-7-5-4-6-12(13)10-16(2)3/h4-7,11,17H,8-10H2,1-3H3,(H,15,18).
What are the key properties of N-[2-[(dimethylamino)methyl]phenyl]-4-hydroxypentanamide?
N-[2-[(dimethylamino)methyl]phenyl]-4-hydroxypentanamide has a molecular weight of 250.34 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(dimethylamino)methyl]phenyl]-4-hydroxypentanamide is sourced from PubChem (CID 79204978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).