4-tert-butyl-N-[3-(2-phenylethylamino)propyl]benzamide

C22H30N2O — CID 118607429

IUPAC4-tert-butyl-N-[3-(2-phenylethylamino)propyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCCCNCCc2ccccc2)cc1
InChIInChI=1S/C22H30N2O/c1-22(2,3)20-12-10-19(11-13-20)21(25)24-16-7-15-23-17-14-18-8-5-4-6-9-18/h4-6,8-13,23H,7,14-17H2,1-3H3,(H,24,25)
InChIKeyCPTSOXDNWIESRM-UHFFFAOYSA-N
MW338.50 g/mol
LogP3.94
Rot. Bonds8

About 4-tert-butyl-N-[3-(2-phenylethylamino)propyl]benzamide

4-tert-butyl-N-[3-(2-phenylethylamino)propyl]benzamide (PubChem CID 118607429) has the molecular formula C22H30N2O and a molecular weight of 338.50 g/mol. Its IUPAC name is 4-tert-butyl-N-[3-(2-phenylethylamino)propyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[3-(2-phenylethylamino)propyl]benzamide
PubChem CID118607429
Molecular FormulaC22H30N2O
Molecular Weight338.50 g/mol
Exact Mass338.24
IUPAC Name4-tert-butyl-N-[3-(2-phenylethylamino)propyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCCCNCCc2ccccc2)cc1
InChIInChI=1S/C22H30N2O/c1-22(2,3)20-12-10-19(11-13-20)21(25)24-16-7-15-23-17-14-18-8-5-4-6-9-18/h4-6,8-13,23H,7,14-17H2,1-3H3,(H,24,25)
InChIKeyCPTSOXDNWIESRM-UHFFFAOYSA-N
XLogP3.94
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-[3-(2-phenylethylamino)propyl]benzamide
CID 118607477
1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633
4-N-tert-butyl-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide
CID 48846619
4-tert-butyl-N-[6-[(4-tert-butylbenzoyl)amino]hexyl]benzamide
CID 3415356
4-ethyl-N-(2-phenylethyl)benzamide
CID 11841446
N-(3-phenylpropyl)-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide
CID 91126455
methyl 4-(3-phenylpropylcarbamoyl)benzoate
CID 27646995
N-[2-(4-tert-butylphenyl)ethyl]-4-(4-phenylmethoxyphenyl)benzamide
CID 139904878
4-[2-(4-tert-butylphenyl)ethylamino]-2,2-dimethylbutanoic acid
CID 122127415
4-tert-butyl-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]benzamide
CID 108934829
4-amino-N-(3-phenylpropyl)benzamide
CID 10658614
4-formyl-N-(2-phenylethyl)benzamide
CID 12773386

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[3-(2-phenylethylamino)propyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[3-(2-phenylethylamino)propyl]benzamide (CID 118607429) is 4-tert-butyl-N-[3-(2-phenylethylamino)propyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[3-(2-phenylethylamino)propyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[3-(2-phenylethylamino)propyl]benzamide is CC(C)(C)c1ccc(C(=O)NCCCNCCc2ccccc2)cc1.
What is the InChIKey of 4-tert-butyl-N-[3-(2-phenylethylamino)propyl]benzamide?
The InChIKey is CPTSOXDNWIESRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O/c1-22(2,3)20-12-10-19(11-13-20)21(25)24-16-7-15-23-17-14-18-8-5-4-6-9-18/h4-6,8-13,23H,7,14-17H2,1-3H3,(H,24,25).
What are the key properties of 4-tert-butyl-N-[3-(2-phenylethylamino)propyl]benzamide?
4-tert-butyl-N-[3-(2-phenylethylamino)propyl]benzamide has a molecular weight of 338.50 g/mol, XLogP of 3.94, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[3-(2-phenylethylamino)propyl]benzamide is sourced from PubChem (CID 118607429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).