N-[[5-amino-2-(dimethylamino)phenyl]methyl]-2-ethyl-N-(1-phenylethyl)butanamide

C23H33N3O — CID 42815492

IUPACN-[[5-amino-2-(dimethylamino)phenyl]methyl]-2-ethyl-N-(1-phenylethyl)butanamide
SMILESCCC(CC)C(=O)N(Cc1cc(N)ccc1N(C)C)C(C)c1ccccc1
InChIInChI=1S/C23H33N3O/c1-6-18(7-2)23(27)26(17(3)19-11-9-8-10-12-19)16-20-15-21(24)13-14-22(20)25(4)5/h8-15,17-18H,6-7,16,24H2,1-5H3
InChIKeyXMYJKQZZZASHBO-UHFFFAOYSA-N
MW367.54 g/mol
LogP4.86
Rot. Bonds8

About N-[[5-amino-2-(dimethylamino)phenyl]methyl]-2-ethyl-N-(1-phenylethyl)butanamide

N-[[5-amino-2-(dimethylamino)phenyl]methyl]-2-ethyl-N-(1-phenylethyl)butanamide (PubChem CID 42815492) has the molecular formula C23H33N3O and a molecular weight of 367.54 g/mol. Its IUPAC name is N-[[5-amino-2-(dimethylamino)phenyl]methyl]-2-ethyl-N-(1-phenylethyl)butanamide.

Molecular Properties

Compound NameN-[[5-amino-2-(dimethylamino)phenyl]methyl]-2-ethyl-N-(1-phenylethyl)butanamide
PubChem CID42815492
Molecular FormulaC23H33N3O
Molecular Weight367.54 g/mol
Exact Mass367.26
IUPAC NameN-[[5-amino-2-(dimethylamino)phenyl]methyl]-2-ethyl-N-(1-phenylethyl)butanamide
SMILESCCC(CC)C(=O)N(Cc1cc(N)ccc1N(C)C)C(C)c1ccccc1
InChIInChI=1S/C23H33N3O/c1-6-18(7-2)23(27)26(17(3)19-11-9-8-10-12-19)16-20-15-21(24)13-14-22(20)25(4)5/h8-15,17-18H,6-7,16,24H2,1-5H3
InChIKeyXMYJKQZZZASHBO-UHFFFAOYSA-N
XLogP4.86
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.54
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-(1-phenylethyl)acetamide
CID 24712140
1-[[5-amino-2-(dimethylamino)phenyl]methyl]-1-(1-phenylethyl)-3-propan-2-ylurea
CID 42815557
N-[4-(dimethylamino)-3-[[2-ethylbutanoyl-[(1S)-1-phenylethyl]amino]methyl]phenyl]-3-fluorobenzamide
CID 93128420
N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)-2-phenylbutanamide
CID 46137649
N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-butan-2-yl-4-fluorobenzamide
CID 42815477
N-[[5-amino-2-(dimethylamino)phenyl]methyl]-2-ethyl-N-(oxolan-2-ylmethyl)butanamide
CID 24712248
N-[[2-(dimethylamino)-5-(propanoylamino)phenyl]methyl]-4-methoxy-N-[(1S)-1-phenylethyl]benzamide
CID 93128295
N-[[5-[[(2R)-2-chloropropanoyl]amino]-2-(dimethylamino)phenyl]methyl]-2,2-dimethyl-N-[(1R)-1-phenylethyl]propanamide
CID 93019446
(2R)-N-[[2-(dimethylamino)-5-(2-methylpropanoylamino)phenyl]methyl]-N-[(2S)-3-methylbutan-2-yl]-2-phenylbutanamide
CID 93129407
(2R)-N-[[2-(dimethylamino)-5-(2-methylpropanoylamino)phenyl]methyl]-N-[(2R)-3-methylbutan-2-yl]-2-phenylbutanamide
CID 93129409
N-[[5-[(2-chloroacetyl)amino]-2-(dimethylamino)phenyl]methyl]-2,2-dimethyl-N-(1-phenylethyl)propanamide
CID 46111076
5-amino-2-(dimethylamino)-N-[(1S)-1-phenylethyl]benzamide
CID 107863882

Frequently Asked Questions

What is the IUPAC name of N-[[5-amino-2-(dimethylamino)phenyl]methyl]-2-ethyl-N-(1-phenylethyl)butanamide?
The IUPAC name of N-[[5-amino-2-(dimethylamino)phenyl]methyl]-2-ethyl-N-(1-phenylethyl)butanamide (CID 42815492) is N-[[5-amino-2-(dimethylamino)phenyl]methyl]-2-ethyl-N-(1-phenylethyl)butanamide.
What is the SMILES notation for N-[[5-amino-2-(dimethylamino)phenyl]methyl]-2-ethyl-N-(1-phenylethyl)butanamide?
The canonical SMILES for N-[[5-amino-2-(dimethylamino)phenyl]methyl]-2-ethyl-N-(1-phenylethyl)butanamide is CCC(CC)C(=O)N(Cc1cc(N)ccc1N(C)C)C(C)c1ccccc1.
What is the InChIKey of N-[[5-amino-2-(dimethylamino)phenyl]methyl]-2-ethyl-N-(1-phenylethyl)butanamide?
The InChIKey is XMYJKQZZZASHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O/c1-6-18(7-2)23(27)26(17(3)19-11-9-8-10-12-19)16-20-15-21(24)13-14-22(20)25(4)5/h8-15,17-18H,6-7,16,24H2,1-5H3.
What are the key properties of N-[[5-amino-2-(dimethylamino)phenyl]methyl]-2-ethyl-N-(1-phenylethyl)butanamide?
N-[[5-amino-2-(dimethylamino)phenyl]methyl]-2-ethyl-N-(1-phenylethyl)butanamide has a molecular weight of 367.54 g/mol, XLogP of 4.86, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-amino-2-(dimethylamino)phenyl]methyl]-2-ethyl-N-(1-phenylethyl)butanamide is sourced from PubChem (CID 42815492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).