2-(dimethylamino)-N-(2-methylpropyl)-5-(3-phenylpropanoylamino)benzamide

C22H29N3O2 — CID 42747211

IUPAC2-(dimethylamino)-N-(2-methylpropyl)-5-(3-phenylpropanoylamino)benzamide
SMILESCC(C)CNC(=O)c1cc(NC(=O)CCc2ccccc2)ccc1N(C)C
InChIInChI=1S/C22H29N3O2/c1-16(2)15-23-22(27)19-14-18(11-12-20(19)25(3)4)24-21(26)13-10-17-8-6-5-7-9-17/h5-9,11-12,14,16H,10,13,15H2,1-4H3,(H,23,27)(H,24,26)
InChIKeyHKKNTAUBNXDRET-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.71
Rot. Bonds8

About 2-(dimethylamino)-N-(2-methylpropyl)-5-(3-phenylpropanoylamino)benzamide

2-(dimethylamino)-N-(2-methylpropyl)-5-(3-phenylpropanoylamino)benzamide (PubChem CID 42747211) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 2-(dimethylamino)-N-(2-methylpropyl)-5-(3-phenylpropanoylamino)benzamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-(2-methylpropyl)-5-(3-phenylpropanoylamino)benzamide
PubChem CID42747211
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name2-(dimethylamino)-N-(2-methylpropyl)-5-(3-phenylpropanoylamino)benzamide
SMILESCC(C)CNC(=O)c1cc(NC(=O)CCc2ccccc2)ccc1N(C)C
InChIInChI=1S/C22H29N3O2/c1-16(2)15-23-22(27)19-14-18(11-12-20(19)25(3)4)24-21(26)13-10-17-8-6-5-7-9-17/h5-9,11-12,14,16H,10,13,15H2,1-4H3,(H,23,27)(H,24,26)
InChIKeyHKKNTAUBNXDRET-UHFFFAOYSA-N
XLogP3.71
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.71
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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Related Compounds

N-[2-(diethylamino)ethyl]-2-(dimethylamino)-5-(3-phenylpropanoylamino)benzamide
CID 42747663
N-cyclopropyl-2-(dimethylamino)-5-(3-phenylpropanoylamino)benzamide
CID 42747499
5-[[(2S)-2-chloropropanoyl]amino]-2-(dimethylamino)-N-(2-phenylethyl)benzamide
CID 1063339
5-(benzenesulfonamido)-2-(dimethylamino)-N-(2-methylpropyl)benzamide
CID 42748003
5-[(2-bromophenyl)carbamoylamino]-2-(dimethylamino)-N-(2-methylpropyl)benzamide
CID 3538460
2-(dimethylamino)-5-[3-[4-(5-phenylpentoxy)phenyl]propanoylamino]benzoic acid
CID 10205705
N-(2-methylpropyl)-5-(3-phenylpropanoylamino)-1H-indole-2-carboxamide
CID 83280451
2-(dimethylamino)-5-[(2-methoxyphenyl)carbamoylamino]-N-(2-methylpropyl)benzamide
CID 42747759
5-(cyclohexanecarbonylamino)-2-(dimethylamino)-N-(2-methylpropyl)benzamide
CID 42747203
5-[(3,4-difluorophenyl)carbamoylamino]-2-(dimethylamino)-N-(2-phenylethyl)benzamide
CID 42756324
N-benzyl-2-(dimethylamino)-5-(ethylcarbamoylamino)benzamide
CID 771458
N-[4-(dimethylamino)phenyl]-3-phenylpropanamide
CID 874810

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-(2-methylpropyl)-5-(3-phenylpropanoylamino)benzamide?
The IUPAC name of 2-(dimethylamino)-N-(2-methylpropyl)-5-(3-phenylpropanoylamino)benzamide (CID 42747211) is 2-(dimethylamino)-N-(2-methylpropyl)-5-(3-phenylpropanoylamino)benzamide.
What is the SMILES notation for 2-(dimethylamino)-N-(2-methylpropyl)-5-(3-phenylpropanoylamino)benzamide?
The canonical SMILES for 2-(dimethylamino)-N-(2-methylpropyl)-5-(3-phenylpropanoylamino)benzamide is CC(C)CNC(=O)c1cc(NC(=O)CCc2ccccc2)ccc1N(C)C.
What is the InChIKey of 2-(dimethylamino)-N-(2-methylpropyl)-5-(3-phenylpropanoylamino)benzamide?
The InChIKey is HKKNTAUBNXDRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-16(2)15-23-22(27)19-14-18(11-12-20(19)25(3)4)24-21(26)13-10-17-8-6-5-7-9-17/h5-9,11-12,14,16H,10,13,15H2,1-4H3,(H,23,27)(H,24,26).
What are the key properties of 2-(dimethylamino)-N-(2-methylpropyl)-5-(3-phenylpropanoylamino)benzamide?
2-(dimethylamino)-N-(2-methylpropyl)-5-(3-phenylpropanoylamino)benzamide has a molecular weight of 367.49 g/mol, XLogP of 3.71, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-(2-methylpropyl)-5-(3-phenylpropanoylamino)benzamide is sourced from PubChem (CID 42747211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).