N-[[4-(dimethylamino)phenyl]methyl]-2-ethyl-N-methylbutanamide

C16H26N2O — CID 78801142

IUPACN-[[4-(dimethylamino)phenyl]methyl]-2-ethyl-N-methylbutanamide
SMILESCCC(CC)C(=O)N(C)Cc1ccc(N(C)C)cc1
InChIInChI=1S/C16H26N2O/c1-6-14(7-2)16(19)18(5)12-13-8-10-15(11-9-13)17(3)4/h8-11,14H,6-7,12H2,1-5H3
InChIKeyVONXEDTZMPRRHQ-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.15
Rot. Bonds6

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

N-[[4-(dimethylamino)phenyl]methyl]-2-ethyl-N-methylbutanamide (PubChem CID 78801142) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-2-ethyl-N-methylbutanamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-2-ethyl-N-methylbutanamide
PubChem CID78801142
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-2-ethyl-N-methylbutanamide
SMILESCCC(CC)C(=O)N(C)Cc1ccc(N(C)C)cc1
InChIInChI=1S/C16H26N2O/c1-6-14(7-2)16(19)18(5)12-13-8-10-15(11-9-13)17(3)4/h8-11,14H,6-7,12H2,1-5H3
InChIKeyVONXEDTZMPRRHQ-UHFFFAOYSA-N
XLogP3.15
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'}

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Related Compounds

N-[(4-ethoxyphenyl)methyl]-2-ethyl-N-methylbutanamide
CID 78780749
(2R)-2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N,3-dimethylbutanamide
CID 79013489
2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-methylacetamide
CID 60672644
N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-methylpropanamide
CID 60682717
N-[[4-(dimethylamino)phenyl]methyl]-2,2,2-trifluoro-N-methylacetamide
CID 62492005
2-[methyl-[(4-methylphenyl)methyl]carbamoyl]butanoic acid
CID 115186008
1,3-bis[[4-(dimethylamino)phenyl]methyl]-1-methylurea
CID 38949413
(2R)-2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-ethylpropanamide
CID 54995849
(2S)-2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-3-methylpentanamide
CID 61172861
3-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-2-methylpropanamide
CID 62669455
2-(aminomethyl)-N-[[4-(dimethylamino)phenyl]methyl]butanamide
CID 65229471
(2S)-2-amino-N-[(4-hydroxyphenyl)methyl]-N-methylpropanamide
CID 61146195

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-2-ethyl-N-methylbutanamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-2-ethyl-N-methylbutanamide (CID 78801142) is N-[[4-(dimethylamino)phenyl]methyl]-2-ethyl-N-methylbutanamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-2-ethyl-N-methylbutanamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-2-ethyl-N-methylbutanamide is CCC(CC)C(=O)N(C)Cc1ccc(N(C)C)cc1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-2-ethyl-N-methylbutanamide?
The InChIKey is VONXEDTZMPRRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-6-14(7-2)16(19)18(5)12-13-8-10-15(11-9-13)17(3)4/h8-11,14H,6-7,12H2,1-5H3.
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-2-ethyl-N-methylbutanamide?
N-[[4-(dimethylamino)phenyl]methyl]-2-ethyl-N-methylbutanamide has a molecular weight of 262.40 g/mol, XLogP of 3.15, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-2-ethyl-N-methylbutanamide is sourced from PubChem (CID 78801142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).