5-amino-2-(dimethylamino)-N-[(1S)-1-phenylethyl]benzamide

C17H21N3O — CID 107863882

IUPAC5-amino-2-(dimethylamino)-N-[(1S)-1-phenylethyl]benzamide
SMILESC[C@H](NC(=O)c1cc(N)ccc1N(C)C)c1ccccc1
InChIInChI=1S/C17H21N3O/c1-12(13-7-5-4-6-8-13)19-17(21)15-11-14(18)9-10-16(15)20(2)3/h4-12H,18H2,1-3H3,(H,19,21)/t12-/m0/s1
InChIKeyYAOOEGUEEDQSNE-LBPRGKRZSA-N
MW283.38 g/mol
LogP2.83
Rot. Bonds4

About 5-amino-2-(dimethylamino)-N-[(1S)-1-phenylethyl]benzamide

5-amino-2-(dimethylamino)-N-[(1S)-1-phenylethyl]benzamide (PubChem CID 107863882) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 5-amino-2-(dimethylamino)-N-[(1S)-1-phenylethyl]benzamide.

Molecular Properties

Compound Name5-amino-2-(dimethylamino)-N-[(1S)-1-phenylethyl]benzamide
PubChem CID107863882
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name5-amino-2-(dimethylamino)-N-[(1S)-1-phenylethyl]benzamide
SMILESC[C@H](NC(=O)c1cc(N)ccc1N(C)C)c1ccccc1
InChIInChI=1S/C17H21N3O/c1-12(13-7-5-4-6-8-13)19-17(21)15-11-14(18)9-10-16(15)20(2)3/h4-12H,18H2,1-3H3,(H,19,21)/t12-/m0/s1
InChIKeyYAOOEGUEEDQSNE-LBPRGKRZSA-N
XLogP2.83
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.83
H-Bond Donors ≤ 52
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

5-amino-2-(dimethylamino)-N-(4-hydroxybutan-2-yl)benzamide
CID 83176982
5-amino-2-(dimethylamino)-N-(2-propan-2-ylphenyl)benzamide
CID 91683062
2-(dimethylamino)-5-[(3-methylphenyl)carbamoylamino]-N-[(1S)-1-phenylethyl]benzamide
CID 7230440
5-amino-2-methyl-N-[(1S)-1-phenylethyl]pyridine-3-carboxamide
CID 93467775
5-[(2,4-dichlorophenyl)carbamoylamino]-2-(dimethylamino)-N-(1-phenylethyl)benzamide
CID 4038266
5-[(3,5-dimethoxybenzoyl)amino]-2-(dimethylamino)-N-(1-phenylethyl)benzamide
CID 42747404
ethyl 2-[[4-(dimethylamino)-3-(1-phenylethylcarbamoyl)phenyl]carbamoylamino]acetate
CID 5152715
N-[(1S)-1-(4-aminophenyl)ethyl]benzamide
CID 35525579
2-N-(1-phenylethyl)benzene-1,2-dicarboxamide
CID 22396198
N-[1-(3-aminophenyl)ethyl]benzamide
CID 43297605
2-[2,6-bis(1-phenylethylcarbamoyl)phenyl]-1-N,3-N-bis(1-phenylethyl)benzene-1,3-dicarboxamide
CID 570721
5-amino-2-(dimethylamino)-N-(2-methoxypropyl)benzamide
CID 102694296

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(dimethylamino)-N-[(1S)-1-phenylethyl]benzamide?
The IUPAC name of 5-amino-2-(dimethylamino)-N-[(1S)-1-phenylethyl]benzamide (CID 107863882) is 5-amino-2-(dimethylamino)-N-[(1S)-1-phenylethyl]benzamide.
What is the SMILES notation for 5-amino-2-(dimethylamino)-N-[(1S)-1-phenylethyl]benzamide?
The canonical SMILES for 5-amino-2-(dimethylamino)-N-[(1S)-1-phenylethyl]benzamide is C[C@H](NC(=O)c1cc(N)ccc1N(C)C)c1ccccc1.
What is the InChIKey of 5-amino-2-(dimethylamino)-N-[(1S)-1-phenylethyl]benzamide?
The InChIKey is YAOOEGUEEDQSNE-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H21N3O/c1-12(13-7-5-4-6-8-13)19-17(21)15-11-14(18)9-10-16(15)20(2)3/h4-12H,18H2,1-3H3,(H,19,21)/t12-/m0/s1.
What are the key properties of 5-amino-2-(dimethylamino)-N-[(1S)-1-phenylethyl]benzamide?
5-amino-2-(dimethylamino)-N-[(1S)-1-phenylethyl]benzamide has a molecular weight of 283.38 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(dimethylamino)-N-[(1S)-1-phenylethyl]benzamide is sourced from PubChem (CID 107863882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).