N-(3-methylbutyl)-2-[2-(3-methylphenyl)ethylamino]propanamide

C17H28N2O — CID 62312844

IUPACN-(3-methylbutyl)-2-[2-(3-methylphenyl)ethylamino]propanamide
SMILESCc1cccc(CCNC(C)C(=O)NCCC(C)C)c1
InChIInChI=1S/C17H28N2O/c1-13(2)8-10-19-17(20)15(4)18-11-9-16-7-5-6-14(3)12-16/h5-7,12-13,15,18H,8-11H2,1-4H3,(H,19,20)
InChIKeyIWJDFAPZCKJFAJ-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.68
Rot. Bonds8

About N-(3-methylbutyl)-2-[2-(3-methylphenyl)ethylamino]propanamide

N-(3-methylbutyl)-2-[2-(3-methylphenyl)ethylamino]propanamide (PubChem CID 62312844) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-[2-(3-methylphenyl)ethylamino]propanamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-[2-(3-methylphenyl)ethylamino]propanamide
PubChem CID62312844
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-(3-methylbutyl)-2-[2-(3-methylphenyl)ethylamino]propanamide
SMILESCc1cccc(CCNC(C)C(=O)NCCC(C)C)c1
InChIInChI=1S/C17H28N2O/c1-13(2)8-10-19-17(20)15(4)18-11-9-16-7-5-6-14(3)12-16/h5-7,12-13,15,18H,8-11H2,1-4H3,(H,19,20)
InChIKeyIWJDFAPZCKJFAJ-UHFFFAOYSA-N
XLogP2.68
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(ethylcarbamoyl)-2-[2-(3-methylphenyl)ethylamino]propanamide
CID 62315197
2-[2-(3-methylphenyl)ethylamino]-N-phenylpropanamide
CID 62314821
N-cyclohexyl-2-[2-(3-methylphenyl)ethylamino]propanamide
CID 62313383
4-(3-methylphenyl)-N-[2-(3-methylphenyl)ethyl]butan-2-amine
CID 63477631
2-[2-(3,5-difluorophenyl)ethylamino]-N-(3-methylbutyl)propanamide
CID 62305792
2-[2-(4-fluorophenyl)ethylamino]-N-(3-methylbutyl)propanamide
CID 43112605
2-[(3-methylphenyl)methylamino]-N-(2-methylpropyl)propanamide
CID 60734142
2-chloro-N-[2-(3-methylphenyl)ethyl]propanamide
CID 62314292
N-[2-(3-methylphenyl)ethyl]propan-2-amine
CID 62315169
ethane;methanol;1-methyl-3-(3-methylbutyl)benzene
CID 144705800
3-[2-(3-methylphenyl)ethyl]-1,1-bis(2-methylpropyl)urea
CID 108900811
(2R)-2-amino-3-methyl-N-[2-(3-methylphenyl)ethyl]butanamide
CID 79013185

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-[2-(3-methylphenyl)ethylamino]propanamide?
The IUPAC name of N-(3-methylbutyl)-2-[2-(3-methylphenyl)ethylamino]propanamide (CID 62312844) is N-(3-methylbutyl)-2-[2-(3-methylphenyl)ethylamino]propanamide.
What is the SMILES notation for N-(3-methylbutyl)-2-[2-(3-methylphenyl)ethylamino]propanamide?
The canonical SMILES for N-(3-methylbutyl)-2-[2-(3-methylphenyl)ethylamino]propanamide is Cc1cccc(CCNC(C)C(=O)NCCC(C)C)c1.
What is the InChIKey of N-(3-methylbutyl)-2-[2-(3-methylphenyl)ethylamino]propanamide?
The InChIKey is IWJDFAPZCKJFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-13(2)8-10-19-17(20)15(4)18-11-9-16-7-5-6-14(3)12-16/h5-7,12-13,15,18H,8-11H2,1-4H3,(H,19,20).
What are the key properties of N-(3-methylbutyl)-2-[2-(3-methylphenyl)ethylamino]propanamide?
N-(3-methylbutyl)-2-[2-(3-methylphenyl)ethylamino]propanamide has a molecular weight of 276.42 g/mol, XLogP of 2.68, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-[2-(3-methylphenyl)ethylamino]propanamide is sourced from PubChem (CID 62312844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).