5-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-methylpentanamide

C15H22F2N2O2 — CID 82013441

IUPAC5-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-methylpentanamide
SMILESCC(CN)CCC(=O)NC(C)c1cccc(OC(F)F)c1
InChIInChI=1S/C15H22F2N2O2/c1-10(9-18)6-7-14(20)19-11(2)12-4-3-5-13(8-12)21-15(16)17/h3-5,8,10-11,15H,6-7,9,18H2,1-2H3,(H,19,20)
InChIKeyWEAAKCDNNJVNIX-UHFFFAOYSA-N
MW300.35 g/mol
LogP2.84
Rot. Bonds8

About 5-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-methylpentanamide

5-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-methylpentanamide (PubChem CID 82013441) has the molecular formula C15H22F2N2O2 and a molecular weight of 300.35 g/mol. Its IUPAC name is 5-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-methylpentanamide.

Molecular Properties

Compound Name5-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-methylpentanamide
PubChem CID82013441
Molecular FormulaC15H22F2N2O2
Molecular Weight300.35 g/mol
Exact Mass300.16
IUPAC Name5-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-methylpentanamide
SMILESCC(CN)CCC(=O)NC(C)c1cccc(OC(F)F)c1
InChIInChI=1S/C15H22F2N2O2/c1-10(9-18)6-7-14(20)19-11(2)12-4-3-5-13(8-12)21-15(16)17/h3-5,8,10-11,15H,6-7,9,18H2,1-2H3,(H,19,20)
InChIKeyWEAAKCDNNJVNIX-UHFFFAOYSA-N
XLogP2.84
TPSA64.35 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 ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-[1-[3-(difluoromethoxy)phenyl]ethyl]butanamide
CID 65225924
N-[1-(3-acetamidophenyl)ethyl]-5-amino-4-methylpentanamide
CID 82014074
3-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-phenylpropanamide;hydrochloride
CID 119949773
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-thiophen-3-ylpropanamide
CID 42961602
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-(3-methylphenoxy)butanamide
CID 46469859
N-[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 51729577
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-(3-fluorophenyl)acetamide
CID 42961600
(2S)-2-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]pentanamide
CID 107568388
N-[(1S)-1-[3-(difluoromethoxy)phenyl]ethyl]-2-pyrimidin-5-ylacetamide
CID 124884144
6-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4,4-dimethylhexanamide
CID 81353778
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
CID 87001177
1-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-(2-hydroxyethyl)urea
CID 110894255

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-methylpentanamide?
The IUPAC name of 5-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-methylpentanamide (CID 82013441) is 5-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-methylpentanamide.
What is the SMILES notation for 5-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-methylpentanamide?
The canonical SMILES for 5-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-methylpentanamide is CC(CN)CCC(=O)NC(C)c1cccc(OC(F)F)c1.
What is the InChIKey of 5-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-methylpentanamide?
The InChIKey is WEAAKCDNNJVNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O2/c1-10(9-18)6-7-14(20)19-11(2)12-4-3-5-13(8-12)21-15(16)17/h3-5,8,10-11,15H,6-7,9,18H2,1-2H3,(H,19,20).
What are the key properties of 5-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-methylpentanamide?
5-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-methylpentanamide has a molecular weight of 300.35 g/mol, XLogP of 2.84, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-methylpentanamide is sourced from PubChem (CID 82013441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).