3-[1-(2,5-dimethylphenyl)ethylamino]-N-propan-2-ylpropanamide

C16H26N2O — CID 115579678

IUPAC3-[1-(2,5-dimethylphenyl)ethylamino]-N-propan-2-ylpropanamide
SMILESCc1ccc(C)c(C(C)NCCC(=O)NC(C)C)c1
InChIInChI=1S/C16H26N2O/c1-11(2)18-16(19)8-9-17-14(5)15-10-12(3)6-7-13(15)4/h6-7,10-11,14,17H,8-9H2,1-5H3,(H,18,19)
InChIKeyXOPXCCLLKBISOJ-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.87
Rot. Bonds6

About 3-[1-(2,5-dimethylphenyl)ethylamino]-N-propan-2-ylpropanamide

3-[1-(2,5-dimethylphenyl)ethylamino]-N-propan-2-ylpropanamide (PubChem CID 115579678) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-[1-(2,5-dimethylphenyl)ethylamino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[1-(2,5-dimethylphenyl)ethylamino]-N-propan-2-ylpropanamide
PubChem CID115579678
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3-[1-(2,5-dimethylphenyl)ethylamino]-N-propan-2-ylpropanamide
SMILESCc1ccc(C)c(C(C)NCCC(=O)NC(C)C)c1
InChIInChI=1S/C16H26N2O/c1-11(2)18-16(19)8-9-17-14(5)15-10-12(3)6-7-13(15)4/h6-7,10-11,14,17H,8-9H2,1-5H3,(H,18,19)
InChIKeyXOPXCCLLKBISOJ-UHFFFAOYSA-N
XLogP2.87
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(2,5-dimethylphenyl)ethylamino]propanamide
CID 43398362
3-[1-(4-methylphenyl)ethylamino]-N-propan-2-ylpropanamide
CID 55098195
3-chloro-N-[1-(2,5-dimethylphenyl)ethyl]propanamide
CID 17327223
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(4-methylphenyl)propanamide
CID 93239788
N-[1-(2-methoxy-5-methylphenyl)ethyl]-3-(propan-2-ylamino)propanamide
CID 60854887
3-[[(1S)-1-(2-bromophenyl)ethyl]amino]-N-propan-2-ylpropanamide
CID 81383684
N-[1-(2,5-dimethylphenyl)ethyl]-3-phenylpropanamide
CID 17327195
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(4-methylphenyl)sulfanylpropanamide
CID 99130631
N-[1-(2,5-dimethylphenyl)ethyl]-3-(4-methylphenyl)sulfanylpropanamide
CID 53278970
N-[1-(2,5-dimethylphenyl)ethyl]-3-(4-fluorophenyl)propanamide
CID 133178558
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]prop-2-enamide
CID 167955086
3-[1-(5-methylthiophen-2-yl)ethylamino]-N-propan-2-ylpropanamide
CID 55098145

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,5-dimethylphenyl)ethylamino]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[1-(2,5-dimethylphenyl)ethylamino]-N-propan-2-ylpropanamide (CID 115579678) is 3-[1-(2,5-dimethylphenyl)ethylamino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[1-(2,5-dimethylphenyl)ethylamino]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[1-(2,5-dimethylphenyl)ethylamino]-N-propan-2-ylpropanamide is Cc1ccc(C)c(C(C)NCCC(=O)NC(C)C)c1.
What is the InChIKey of 3-[1-(2,5-dimethylphenyl)ethylamino]-N-propan-2-ylpropanamide?
The InChIKey is XOPXCCLLKBISOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-11(2)18-16(19)8-9-17-14(5)15-10-12(3)6-7-13(15)4/h6-7,10-11,14,17H,8-9H2,1-5H3,(H,18,19).
What are the key properties of 3-[1-(2,5-dimethylphenyl)ethylamino]-N-propan-2-ylpropanamide?
3-[1-(2,5-dimethylphenyl)ethylamino]-N-propan-2-ylpropanamide has a molecular weight of 262.40 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,5-dimethylphenyl)ethylamino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 115579678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).