N-[(2,4-dimethylphenyl)methyl]-3-(ethylamino)-N,2-dimethylpropanamide

C16H26N2O — CID 62853116

IUPACN-[(2,4-dimethylphenyl)methyl]-3-(ethylamino)-N,2-dimethylpropanamide
SMILESCCNCC(C)C(=O)N(C)Cc1ccc(C)cc1C
InChIInChI=1S/C16H26N2O/c1-6-17-10-14(4)16(19)18(5)11-15-8-7-12(2)9-13(15)3/h7-9,14,17H,6,10-11H2,1-5H3
InChIKeyGQTZQUFYBYTSFP-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.51
Rot. Bonds6

About N-[(2,4-dimethylphenyl)methyl]-3-(ethylamino)-N,2-dimethylpropanamide

N-[(2,4-dimethylphenyl)methyl]-3-(ethylamino)-N,2-dimethylpropanamide (PubChem CID 62853116) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)methyl]-3-(ethylamino)-N,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)methyl]-3-(ethylamino)-N,2-dimethylpropanamide
PubChem CID62853116
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-[(2,4-dimethylphenyl)methyl]-3-(ethylamino)-N,2-dimethylpropanamide
SMILESCCNCC(C)C(=O)N(C)Cc1ccc(C)cc1C
InChIInChI=1S/C16H26N2O/c1-6-17-10-14(4)16(19)18(5)11-15-8-7-12(2)9-13(15)3/h7-9,14,17H,6,10-11H2,1-5H3
InChIKeyGQTZQUFYBYTSFP-UHFFFAOYSA-N
XLogP2.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)methyl]-3-(ethylamino)-N,2-dimethylpropanamide?
The IUPAC name of N-[(2,4-dimethylphenyl)methyl]-3-(ethylamino)-N,2-dimethylpropanamide (CID 62853116) is N-[(2,4-dimethylphenyl)methyl]-3-(ethylamino)-N,2-dimethylpropanamide.
What is the SMILES notation for N-[(2,4-dimethylphenyl)methyl]-3-(ethylamino)-N,2-dimethylpropanamide?
The canonical SMILES for N-[(2,4-dimethylphenyl)methyl]-3-(ethylamino)-N,2-dimethylpropanamide is CCNCC(C)C(=O)N(C)Cc1ccc(C)cc1C.
What is the InChIKey of N-[(2,4-dimethylphenyl)methyl]-3-(ethylamino)-N,2-dimethylpropanamide?
The InChIKey is GQTZQUFYBYTSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-6-17-10-14(4)16(19)18(5)11-15-8-7-12(2)9-13(15)3/h7-9,14,17H,6,10-11H2,1-5H3.
What are the key properties of N-[(2,4-dimethylphenyl)methyl]-3-(ethylamino)-N,2-dimethylpropanamide?
N-[(2,4-dimethylphenyl)methyl]-3-(ethylamino)-N,2-dimethylpropanamide has a molecular weight of 262.40 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethylphenyl)methyl]-3-(ethylamino)-N,2-dimethylpropanamide is sourced from PubChem (CID 62853116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).