N-[4-[(4-tert-butylphenyl)methylamino]phenyl]-2-(dimethylamino)acetamide

C21H29N3O — CID 166195697

IUPACN-[4-[(4-tert-butylphenyl)methylamino]phenyl]-2-(dimethylamino)acetamide
SMILESCN(C)CC(=O)Nc1ccc(NCc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C21H29N3O/c1-21(2,3)17-8-6-16(7-9-17)14-22-18-10-12-19(13-11-18)23-20(25)15-24(4)5/h6-13,22H,14-15H2,1-5H3,(H,23,25)
InChIKeyKNMPISAQOGAWQQ-UHFFFAOYSA-N
MW339.48 g/mol
LogP4.10
Rot. Bonds6

About N-[4-[(4-tert-butylphenyl)methylamino]phenyl]-2-(dimethylamino)acetamide

N-[4-[(4-tert-butylphenyl)methylamino]phenyl]-2-(dimethylamino)acetamide (PubChem CID 166195697) has the molecular formula C21H29N3O and a molecular weight of 339.48 g/mol. Its IUPAC name is N-[4-[(4-tert-butylphenyl)methylamino]phenyl]-2-(dimethylamino)acetamide.

Molecular Properties

Compound NameN-[4-[(4-tert-butylphenyl)methylamino]phenyl]-2-(dimethylamino)acetamide
PubChem CID166195697
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC NameN-[4-[(4-tert-butylphenyl)methylamino]phenyl]-2-(dimethylamino)acetamide
SMILESCN(C)CC(=O)Nc1ccc(NCc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C21H29N3O/c1-21(2,3)17-8-6-16(7-9-17)14-22-18-10-12-19(13-11-18)23-20(25)15-24(4)5/h6-13,22H,14-15H2,1-5H3,(H,23,25)
InChIKeyKNMPISAQOGAWQQ-UHFFFAOYSA-N
XLogP4.10
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-tert-butylphenyl)-2-(diethylamino)acetamide
CID 59866099
2-(dimethylamino)-N-[4-(dimethylamino)phenyl]acetamide
CID 18870888
N-[4-[[4-[[4-(2,2-dimethylpropanoylamino)anilino]methyl]phenyl]methylamino]phenyl]-2,2-dimethylpropanamide
CID 155301754
4-(4-tert-butylphenyl)-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]butanamide
CID 86883417
N-[4-(benzylamino)phenyl]-3-(dimethylamino)propanamide
CID 141036674
4-[[2-(dimethylamino)acetyl]amino]-N-methylbenzamide
CID 54843994
3-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54844057
2-(N-acetyl-4-ethylanilino)-N-(4-tert-butylphenyl)acetamide
CID 113169317
tert-butyl N-[2-[4-[[2-(dimethylamino)acetyl]amino]phenyl]ethyl]carbamate
CID 146853096
2-(benzylamino)-N-(4-tert-butylphenyl)acetamide
CID 108996416
N-benzyl-2-[4-[(4-tert-butylphenyl)methylamino]phenyl]-N-methylacetamide
CID 42852735
4-tert-butyl-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]benzamide
CID 40728961

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-tert-butylphenyl)methylamino]phenyl]-2-(dimethylamino)acetamide?
The IUPAC name of N-[4-[(4-tert-butylphenyl)methylamino]phenyl]-2-(dimethylamino)acetamide (CID 166195697) is N-[4-[(4-tert-butylphenyl)methylamino]phenyl]-2-(dimethylamino)acetamide.
What is the SMILES notation for N-[4-[(4-tert-butylphenyl)methylamino]phenyl]-2-(dimethylamino)acetamide?
The canonical SMILES for N-[4-[(4-tert-butylphenyl)methylamino]phenyl]-2-(dimethylamino)acetamide is CN(C)CC(=O)Nc1ccc(NCc2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of N-[4-[(4-tert-butylphenyl)methylamino]phenyl]-2-(dimethylamino)acetamide?
The InChIKey is KNMPISAQOGAWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O/c1-21(2,3)17-8-6-16(7-9-17)14-22-18-10-12-19(13-11-18)23-20(25)15-24(4)5/h6-13,22H,14-15H2,1-5H3,(H,23,25).
What are the key properties of N-[4-[(4-tert-butylphenyl)methylamino]phenyl]-2-(dimethylamino)acetamide?
N-[4-[(4-tert-butylphenyl)methylamino]phenyl]-2-(dimethylamino)acetamide has a molecular weight of 339.48 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-tert-butylphenyl)methylamino]phenyl]-2-(dimethylamino)acetamide is sourced from PubChem (CID 166195697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).