N-[2-[1-[4-(difluoromethoxy)phenyl]ethylamino]ethyl]-2-methylpropanamide

C15H22F2N2O2 — CID 43103925

IUPACN-[2-[1-[4-(difluoromethoxy)phenyl]ethylamino]ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCNC(C)c1ccc(OC(F)F)cc1
InChIInChI=1S/C15H22F2N2O2/c1-10(2)14(20)19-9-8-18-11(3)12-4-6-13(7-5-12)21-15(16)17/h4-7,10-11,15,18H,8-9H2,1-3H3,(H,19,20)
InChIKeyWHOBMVWXSHDVDX-UHFFFAOYSA-N
MW300.35 g/mol
LogP2.71
Rot. Bonds8

About N-[2-[1-[4-(difluoromethoxy)phenyl]ethylamino]ethyl]-2-methylpropanamide

N-[2-[1-[4-(difluoromethoxy)phenyl]ethylamino]ethyl]-2-methylpropanamide (PubChem CID 43103925) has the molecular formula C15H22F2N2O2 and a molecular weight of 300.35 g/mol. Its IUPAC name is N-[2-[1-[4-(difluoromethoxy)phenyl]ethylamino]ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-[1-[4-(difluoromethoxy)phenyl]ethylamino]ethyl]-2-methylpropanamide
PubChem CID43103925
Molecular FormulaC15H22F2N2O2
Molecular Weight300.35 g/mol
Exact Mass300.16
IUPAC NameN-[2-[1-[4-(difluoromethoxy)phenyl]ethylamino]ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCNC(C)c1ccc(OC(F)F)cc1
InChIInChI=1S/C15H22F2N2O2/c1-10(2)14(20)19-9-8-18-11(3)12-4-6-13(7-5-12)21-15(16)17/h4-7,10-11,15,18H,8-9H2,1-3H3,(H,19,20)
InChIKeyWHOBMVWXSHDVDX-UHFFFAOYSA-N
XLogP2.71
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[1-[4-(difluoromethoxy)phenyl]ethylamino]butanoic acid
CID 54920730
N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-2-methylpropanamide
CID 111424743
2-methyl-N-[2-[1-[4-(trifluoromethyl)phenyl]ethylamino]ethyl]propanamide
CID 43103125
N-[2-[1-(4-ethylphenyl)ethylamino]ethyl]-2-methylpropanamide
CID 43203024
1-[4-(difluoromethoxy)phenyl]-N-(2-ethoxyethyl)ethanamine
CID 43590705
N'-[1-[4-(difluoromethoxy)phenyl]ethyl]butane-1,4-diamine
CID 60895427
3-[1-[4-(difluoromethoxy)phenyl]ethylamino]-2-hydroxypropanamide
CID 106171785
1,1-dimethyl-3-[2-[1-(4-propan-2-yloxyphenyl)ethylamino]ethyl]urea
CID 83112295
N-[1-[4-(difluoromethoxy)phenyl]ethyl]pent-3-yn-1-amine
CID 104758071
1-[4-(difluoromethoxy)phenyl]-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 103778139
1-[4-(difluoromethoxy)phenyl]-N-(2-thiophen-2-ylethyl)ethanamine
CID 43201404
3-[1-[4-(difluoromethoxy)phenyl]ethylamino]-2-methylpropan-1-ol
CID 65031608

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[4-(difluoromethoxy)phenyl]ethylamino]ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-[1-[4-(difluoromethoxy)phenyl]ethylamino]ethyl]-2-methylpropanamide (CID 43103925) is N-[2-[1-[4-(difluoromethoxy)phenyl]ethylamino]ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-[1-[4-(difluoromethoxy)phenyl]ethylamino]ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-[1-[4-(difluoromethoxy)phenyl]ethylamino]ethyl]-2-methylpropanamide is CC(C)C(=O)NCCNC(C)c1ccc(OC(F)F)cc1.
What is the InChIKey of N-[2-[1-[4-(difluoromethoxy)phenyl]ethylamino]ethyl]-2-methylpropanamide?
The InChIKey is WHOBMVWXSHDVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O2/c1-10(2)14(20)19-9-8-18-11(3)12-4-6-13(7-5-12)21-15(16)17/h4-7,10-11,15,18H,8-9H2,1-3H3,(H,19,20).
What are the key properties of N-[2-[1-[4-(difluoromethoxy)phenyl]ethylamino]ethyl]-2-methylpropanamide?
N-[2-[1-[4-(difluoromethoxy)phenyl]ethylamino]ethyl]-2-methylpropanamide has a molecular weight of 300.35 g/mol, XLogP of 2.71, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[4-(difluoromethoxy)phenyl]ethylamino]ethyl]-2-methylpropanamide is sourced from PubChem (CID 43103925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).