N-[[4-(diethylamino)phenyl]-(2,2-dimethylpropanoylamino)methyl]-2,2-dimethylpropanamide

C21H35N3O2 — CID 71455515

IUPACN-[[4-(diethylamino)phenyl]-(2,2-dimethylpropanoylamino)methyl]-2,2-dimethylpropanamide
SMILESCCN(CC)c1ccc(C(NC(=O)C(C)(C)C)NC(=O)C(C)(C)C)cc1
InChIInChI=1S/C21H35N3O2/c1-9-24(10-2)16-13-11-15(12-14-16)17(22-18(25)20(3,4)5)23-19(26)21(6,7)8/h11-14,17H,9-10H2,1-8H3,(H,22,25)(H,23,26)
InChIKeyUGKLCDRWUKCSAK-UHFFFAOYSA-N
MW361.53 g/mol
LogP3.86
Rot. Bonds6

About N-[[4-(diethylamino)phenyl]-(2,2-dimethylpropanoylamino)methyl]-2,2-dimethylpropanamide

N-[[4-(diethylamino)phenyl]-(2,2-dimethylpropanoylamino)methyl]-2,2-dimethylpropanamide (PubChem CID 71455515) has the molecular formula C21H35N3O2 and a molecular weight of 361.53 g/mol. Its IUPAC name is N-[[4-(diethylamino)phenyl]-(2,2-dimethylpropanoylamino)methyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[[4-(diethylamino)phenyl]-(2,2-dimethylpropanoylamino)methyl]-2,2-dimethylpropanamide
PubChem CID71455515
Molecular FormulaC21H35N3O2
Molecular Weight361.53 g/mol
Exact Mass361.27
IUPAC NameN-[[4-(diethylamino)phenyl]-(2,2-dimethylpropanoylamino)methyl]-2,2-dimethylpropanamide
SMILESCCN(CC)c1ccc(C(NC(=O)C(C)(C)C)NC(=O)C(C)(C)C)cc1
InChIInChI=1S/C21H35N3O2/c1-9-24(10-2)16-13-11-15(12-14-16)17(22-18(25)20(3,4)5)23-19(26)21(6,7)8/h11-14,17H,9-10H2,1-8H3,(H,22,25)(H,23,26)
InChIKeyUGKLCDRWUKCSAK-UHFFFAOYSA-N
XLogP3.86
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.53
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-((4-(dimethylamino)phenyl)methylene)-
CID 74464
Urea, N,N-dimethyl-N'-(4-methylphenyl)-
CID 23549
1-Cyclohexyl-3-(P-tolyl)urea
CID 280350
1-[1-(2-Methylpropanoyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 24898133
N-((Acetylamino)(4-(dimethylamino)phenyl)methyl)acetamide
CID 853046
1-(1-Propionylpiperidin-4-yl)-3-m-tolylurea
CID 49782798
1-(1-Propionylpiperidin-4-yl)-3-p-tolylurea
CID 49782799
1-[1-(3-Methyl-butyryl)-piperidin-4-yl]-3-(4-trifluoromethyl-phenyl)-urea
CID 24899522
1-(4-Perfluoroisopropylphenyl)-3-(1-propionylpiperidin-4-yl)urea
CID 49780161
1-(1-Propionylpiperidin-4-yl)-3-(4-(trifluoromethyl)phenyl)urea
CID 49783427
1-(1-(3,3,3-Trifluoropropionyl)piperidin-4-yl)-3-(4-(trifluoromethyl)phenyl)urea
CID 56971637
1-(1-(2-Methylbutyryl)piperidin-4-yl)-3-(4-(trifluoromethyl)phenyl)urea
CID 56971639

Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylamino)phenyl]-(2,2-dimethylpropanoylamino)methyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[[4-(diethylamino)phenyl]-(2,2-dimethylpropanoylamino)methyl]-2,2-dimethylpropanamide (CID 71455515) is N-[[4-(diethylamino)phenyl]-(2,2-dimethylpropanoylamino)methyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[[4-(diethylamino)phenyl]-(2,2-dimethylpropanoylamino)methyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[[4-(diethylamino)phenyl]-(2,2-dimethylpropanoylamino)methyl]-2,2-dimethylpropanamide is CCN(CC)c1ccc(C(NC(=O)C(C)(C)C)NC(=O)C(C)(C)C)cc1.
What is the InChIKey of N-[[4-(diethylamino)phenyl]-(2,2-dimethylpropanoylamino)methyl]-2,2-dimethylpropanamide?
The InChIKey is UGKLCDRWUKCSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3O2/c1-9-24(10-2)16-13-11-15(12-14-16)17(22-18(25)20(3,4)5)23-19(26)21(6,7)8/h11-14,17H,9-10H2,1-8H3,(H,22,25)(H,23,26).
What are the key properties of N-[[4-(diethylamino)phenyl]-(2,2-dimethylpropanoylamino)methyl]-2,2-dimethylpropanamide?
N-[[4-(diethylamino)phenyl]-(2,2-dimethylpropanoylamino)methyl]-2,2-dimethylpropanamide has a molecular weight of 361.53 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylamino)phenyl]-(2,2-dimethylpropanoylamino)methyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 71455515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).