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

C21H27N3O2 — CID 71719898

IUPAC2-(dimethylamino)-5-(2-methylpropanoylamino)-N-[(1S)-1-phenylethyl]benzamide
SMILESCC(C)C(=O)Nc1ccc(N(C)C)c(C(=O)N[C@@H](C)c2ccccc2)c1
InChIInChI=1S/C21H27N3O2/c1-14(2)20(25)23-17-11-12-19(24(4)5)18(13-17)21(26)22-15(3)16-9-7-6-8-10-16/h6-15H,1-5H3,(H,22,26)(H,23,25)/t15-/m0/s1
InChIKeyLDXZFQWWXMRMAS-HNNXBMFYSA-N
MW353.47 g/mol
LogP3.84
Rot. Bonds6

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

2-(dimethylamino)-5-(2-methylpropanoylamino)-N-[(1S)-1-phenylethyl]benzamide (PubChem CID 71719898) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-(dimethylamino)-5-(2-methylpropanoylamino)-N-[(1S)-1-phenylethyl]benzamide.

Molecular Properties

Compound Name2-(dimethylamino)-5-(2-methylpropanoylamino)-N-[(1S)-1-phenylethyl]benzamide
PubChem CID71719898
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name2-(dimethylamino)-5-(2-methylpropanoylamino)-N-[(1S)-1-phenylethyl]benzamide
SMILESCC(C)C(=O)Nc1ccc(N(C)C)c(C(=O)N[C@@H](C)c2ccccc2)c1
InChIInChI=1S/C21H27N3O2/c1-14(2)20(25)23-17-11-12-19(24(4)5)18(13-17)21(26)22-15(3)16-9-7-6-8-10-16/h6-15H,1-5H3,(H,22,26)(H,23,25)/t15-/m0/s1
InChIKeyLDXZFQWWXMRMAS-HNNXBMFYSA-N
XLogP3.84
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-5-(2-methylpropanoylamino)-N-[(1S)-1-phenylethyl]benzamide?
The IUPAC name of 2-(dimethylamino)-5-(2-methylpropanoylamino)-N-[(1S)-1-phenylethyl]benzamide (CID 71719898) is 2-(dimethylamino)-5-(2-methylpropanoylamino)-N-[(1S)-1-phenylethyl]benzamide.
What is the SMILES notation for 2-(dimethylamino)-5-(2-methylpropanoylamino)-N-[(1S)-1-phenylethyl]benzamide?
The canonical SMILES for 2-(dimethylamino)-5-(2-methylpropanoylamino)-N-[(1S)-1-phenylethyl]benzamide is CC(C)C(=O)Nc1ccc(N(C)C)c(C(=O)N[C@@H](C)c2ccccc2)c1.
What is the InChIKey of 2-(dimethylamino)-5-(2-methylpropanoylamino)-N-[(1S)-1-phenylethyl]benzamide?
The InChIKey is LDXZFQWWXMRMAS-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-14(2)20(25)23-17-11-12-19(24(4)5)18(13-17)21(26)22-15(3)16-9-7-6-8-10-16/h6-15H,1-5H3,(H,22,26)(H,23,25)/t15-/m0/s1.
What are the key properties of 2-(dimethylamino)-5-(2-methylpropanoylamino)-N-[(1S)-1-phenylethyl]benzamide?
2-(dimethylamino)-5-(2-methylpropanoylamino)-N-[(1S)-1-phenylethyl]benzamide has a molecular weight of 353.47 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-5-(2-methylpropanoylamino)-N-[(1S)-1-phenylethyl]benzamide is sourced from PubChem (CID 71719898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).