N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-5-hydroxypentanamide

C16H26N2O2 — CID 79191359

IUPACN-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-5-hydroxypentanamide
SMILESCCN(Cc1ccc(N(C)C)cc1)C(=O)CCCCO
InChIInChI=1S/C16H26N2O2/c1-4-18(16(20)7-5-6-12-19)13-14-8-10-15(11-9-14)17(2)3/h8-11,19H,4-7,12-13H2,1-3H3
InChIKeyYZZQJVPBMHMPGY-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.26
Rot. Bonds8

About N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-5-hydroxypentanamide

N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-5-hydroxypentanamide (PubChem CID 79191359) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-5-hydroxypentanamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-5-hydroxypentanamide
PubChem CID79191359
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-5-hydroxypentanamide
SMILESCCN(Cc1ccc(N(C)C)cc1)C(=O)CCCCO
InChIInChI=1S/C16H26N2O2/c1-4-18(16(20)7-5-6-12-19)13-14-8-10-15(11-9-14)17(2)3/h8-11,19H,4-7,12-13H2,1-3H3
InChIKeyYZZQJVPBMHMPGY-UHFFFAOYSA-N
XLogP2.26
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-[[4-(dimethylamino)phenyl]methyl]-N-ethylpropanamide
CID 54875070
3-(cyclopropylamino)-N-[[4-(dimethylamino)phenyl]methyl]-N-ethylpropanamide
CID 60938684
N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 134009796
N-benzyl-5-chloro-N-ethylpentanamide
CID 28727812
N,N'-dibenzyl-N,N'-diethylpentanediamide
CID 68902262
N-[(3,4-difluorophenyl)methyl]-N-ethyl-4-hydroxybutanamide
CID 79204676
N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-methylpropanamide
CID 60682717
N-benzyl-5-hydroxy-N-(2-hydroxyethyl)pentanamide
CID 79191990
N-benzyl-N-[2-(dimethylamino)ethyl]-4-hydroxybutanamide
CID 79200837
N-[[4-(dimethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)dodecanamide
CID 42707913
(2R)-2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-ethylpropanamide
CID 54995849
6-[ethyl(pyridin-4-ylmethyl)amino]-6-oxohexanoic acid
CID 54876323

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-5-hydroxypentanamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-5-hydroxypentanamide (CID 79191359) is N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-5-hydroxypentanamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-5-hydroxypentanamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-5-hydroxypentanamide is CCN(Cc1ccc(N(C)C)cc1)C(=O)CCCCO.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-5-hydroxypentanamide?
The InChIKey is YZZQJVPBMHMPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-18(16(20)7-5-6-12-19)13-14-8-10-15(11-9-14)17(2)3/h8-11,19H,4-7,12-13H2,1-3H3.
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-5-hydroxypentanamide?
N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-5-hydroxypentanamide has a molecular weight of 278.40 g/mol, XLogP of 2.26, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-5-hydroxypentanamide is sourced from PubChem (CID 79191359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).