4-amino-N,4-dimethyl-N-(2,4,5-trimethylphenyl)pentanamide

C16H26N2O — CID 115157554

IUPAC4-amino-N,4-dimethyl-N-(2,4,5-trimethylphenyl)pentanamide
SMILESCc1cc(C)c(N(C)C(=O)CCC(C)(C)N)cc1C
InChIInChI=1S/C16H26N2O/c1-11-9-13(3)14(10-12(11)2)18(6)15(19)7-8-16(4,5)17/h9-10H,7-8,17H2,1-6H3
InChIKeyKRAZLEDNQZFBKR-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.09
Rot. Bonds4

About 4-amino-N,4-dimethyl-N-(2,4,5-trimethylphenyl)pentanamide

4-amino-N,4-dimethyl-N-(2,4,5-trimethylphenyl)pentanamide (PubChem CID 115157554) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-amino-N,4-dimethyl-N-(2,4,5-trimethylphenyl)pentanamide.

Molecular Properties

Compound Name4-amino-N,4-dimethyl-N-(2,4,5-trimethylphenyl)pentanamide
PubChem CID115157554
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name4-amino-N,4-dimethyl-N-(2,4,5-trimethylphenyl)pentanamide
SMILESCc1cc(C)c(N(C)C(=O)CCC(C)(C)N)cc1C
InChIInChI=1S/C16H26N2O/c1-11-9-13(3)14(10-12(11)2)18(6)15(19)7-8-16(4,5)17/h9-10H,7-8,17H2,1-6H3
InChIKeyKRAZLEDNQZFBKR-UHFFFAOYSA-N
XLogP3.09
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-(2,5-dimethylphenyl)-N,4-dimethylpentanamide
CID 115157531
3-hydroxy-N-methyl-N-(2,4,5-trimethylphenyl)propanamide
CID 115138886
2-amino-N-methyl-N-(2,4,5-trimethylphenyl)acetamide
CID 82492268
4-amino-N,4-dimethyl-N-(1H-pyrrol-3-yl)pentanamide
CID 115157553
2,2,2-trifluoro-N-methyl-N-(2,4,5-trimethylphenyl)acetamide
CID 115190193
3-hydroxy-N-methyl-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 115138893
5-[(4-amino-4-methylpentanoyl)-methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79402268
N-(5-tert-butyl-2-methylphenyl)-3-chloro-N-methylpropanamide
CID 115162393
1,3-dimethyl-1-(2,4,5-trimethylphenyl)urea
CID 115169018
4-hydroxy-N-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)butanamide
CID 115162942
3-amino-N,3-dimethyl-N-(2,3,4-trimethylphenyl)butanamide
CID 115154948
3-amino-N-(4-methoxy-2,5-dimethylphenyl)-N,2,2-trimethylpropanamide
CID 115154573

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,4-dimethyl-N-(2,4,5-trimethylphenyl)pentanamide?
The IUPAC name of 4-amino-N,4-dimethyl-N-(2,4,5-trimethylphenyl)pentanamide (CID 115157554) is 4-amino-N,4-dimethyl-N-(2,4,5-trimethylphenyl)pentanamide.
What is the SMILES notation for 4-amino-N,4-dimethyl-N-(2,4,5-trimethylphenyl)pentanamide?
The canonical SMILES for 4-amino-N,4-dimethyl-N-(2,4,5-trimethylphenyl)pentanamide is Cc1cc(C)c(N(C)C(=O)CCC(C)(C)N)cc1C.
What is the InChIKey of 4-amino-N,4-dimethyl-N-(2,4,5-trimethylphenyl)pentanamide?
The InChIKey is KRAZLEDNQZFBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-11-9-13(3)14(10-12(11)2)18(6)15(19)7-8-16(4,5)17/h9-10H,7-8,17H2,1-6H3.
What are the key properties of 4-amino-N,4-dimethyl-N-(2,4,5-trimethylphenyl)pentanamide?
4-amino-N,4-dimethyl-N-(2,4,5-trimethylphenyl)pentanamide has a molecular weight of 262.40 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,4-dimethyl-N-(2,4,5-trimethylphenyl)pentanamide is sourced from PubChem (CID 115157554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).