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

C19H25N3O — CID 24712140

IUPACN-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-(1-phenylethyl)acetamide
SMILESCC(=O)N(Cc1cc(N)ccc1N(C)C)C(C)c1ccccc1
InChIInChI=1S/C19H25N3O/c1-14(16-8-6-5-7-9-16)22(15(2)23)13-17-12-18(20)10-11-19(17)21(3)4/h5-12,14H,13,20H2,1-4H3
InChIKeyUEGDVCWDNIALPU-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.44
Rot. Bonds5

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

N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-(1-phenylethyl)acetamide (PubChem CID 24712140) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound NameN-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-(1-phenylethyl)acetamide
PubChem CID24712140
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC NameN-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-(1-phenylethyl)acetamide
SMILESCC(=O)N(Cc1cc(N)ccc1N(C)C)C(C)c1ccccc1
InChIInChI=1S/C19H25N3O/c1-14(16-8-6-5-7-9-16)22(15(2)23)13-17-12-18(20)10-11-19(17)21(3)4/h5-12,14H,13,20H2,1-4H3
InChIKeyUEGDVCWDNIALPU-UHFFFAOYSA-N
XLogP3.44
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.44
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

1-[[5-amino-2-(dimethylamino)phenyl]methyl]-1-(1-phenylethyl)-3-propan-2-ylurea
CID 42815557
N-[[5-amino-2-(dimethylamino)phenyl]methyl]-2-ethyl-N-(1-phenylethyl)butanamide
CID 42815492
N-[[5-[[(2R)-2-chloropropanoyl]amino]-2-(dimethylamino)phenyl]methyl]-2,2-dimethyl-N-[(1R)-1-phenylethyl]propanamide
CID 93019446
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
N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-butan-2-yl-4-fluorobenzamide
CID 42815477
3-chloro-N-[4-(dimethylamino)-3-[[2,2-dimethylpropanoyl-[(1R)-1-phenylethyl]amino]methyl]phenyl]-2,2-dimethylpropanamide
CID 93019428
N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)-2-phenylbutanamide
CID 46137649
N-[4-(dimethylamino)-3-[[[(1S)-1-phenylethyl]-(propan-2-ylcarbamoyl)amino]methyl]phenyl]-3,3-dimethylbutanamide
CID 93129484
2-chloro-N-[[2-(dimethylamino)-5-(3-methylbutanoylamino)phenyl]methyl]-N-[(1R)-1-phenylethyl]benzamide
CID 93128314
N-[[2-(dimethylamino)-5-[(2-methoxyacetyl)amino]phenyl]methyl]-3,3-dimethyl-N-[(1R)-1-phenylethyl]butanamide
CID 93129389
N-[[fluoro(dimethyl)silyl]methyl]-N-[(1S)-1-phenylethyl]acetamide
CID 101234105

Frequently Asked Questions

What is the IUPAC name of N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-(1-phenylethyl)acetamide?
The IUPAC name of N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-(1-phenylethyl)acetamide (CID 24712140) is N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-(1-phenylethyl)acetamide.
What is the SMILES notation for N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-(1-phenylethyl)acetamide?
The canonical SMILES for N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-(1-phenylethyl)acetamide is CC(=O)N(Cc1cc(N)ccc1N(C)C)C(C)c1ccccc1.
What is the InChIKey of N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-(1-phenylethyl)acetamide?
The InChIKey is UEGDVCWDNIALPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-14(16-8-6-5-7-9-16)22(15(2)23)13-17-12-18(20)10-11-19(17)21(3)4/h5-12,14H,13,20H2,1-4H3.
What are the key properties of N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-(1-phenylethyl)acetamide?
N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-(1-phenylethyl)acetamide has a molecular weight of 311.43 g/mol, XLogP of 3.44, 5 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]-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 24712140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).