N-[[4-(difluoromethoxy)phenyl]methyl]-3-(ethylamino)butanamide

C14H20F2N2O2 — CID 62839259

IUPACN-[[4-(difluoromethoxy)phenyl]methyl]-3-(ethylamino)butanamide
SMILESCCNC(C)CC(=O)NCc1ccc(OC(F)F)cc1
InChIInChI=1S/C14H20F2N2O2/c1-3-17-10(2)8-13(19)18-9-11-4-6-12(7-5-11)20-14(15)16/h4-7,10,14,17H,3,8-9H2,1-2H3,(H,18,19)
InChIKeyDEYQAFGLNJYZJA-UHFFFAOYSA-N
MW286.32 g/mol
LogP2.29
Rot. Bonds8

About N-[[4-(difluoromethoxy)phenyl]methyl]-3-(ethylamino)butanamide

N-[[4-(difluoromethoxy)phenyl]methyl]-3-(ethylamino)butanamide (PubChem CID 62839259) has the molecular formula C14H20F2N2O2 and a molecular weight of 286.32 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)phenyl]methyl]-3-(ethylamino)butanamide.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)phenyl]methyl]-3-(ethylamino)butanamide
PubChem CID62839259
Molecular FormulaC14H20F2N2O2
Molecular Weight286.32 g/mol
Exact Mass286.15
IUPAC NameN-[[4-(difluoromethoxy)phenyl]methyl]-3-(ethylamino)butanamide
SMILESCCNC(C)CC(=O)NCc1ccc(OC(F)F)cc1
InChIInChI=1S/C14H20F2N2O2/c1-3-17-10(2)8-13(19)18-9-11-4-6-12(7-5-11)20-14(15)16/h4-7,10,14,17H,3,8-9H2,1-2H3,(H,18,19)
InChIKeyDEYQAFGLNJYZJA-UHFFFAOYSA-N
XLogP2.29
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(difluoromethoxy)phenyl]methyl]-4-hydroxypentanamide
CID 79200943
N-[[4-(difluoromethoxy)phenyl]methyl]acetamide
CID 51072984
2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]acetamide;hydrochloride
CID 119271340
4-[[4-(difluoromethoxy)phenyl]methylamino]-4-oxobutanoic acid
CID 54867549
N-[(3-chloro-4-fluorophenyl)methyl]-3-(ethylamino)butanamide
CID 62831826
3-(ethylamino)-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 62838416
4-[[4-(difluoromethoxy)phenyl]methylamino]-2,2-dimethyl-4-oxobutanoic acid
CID 65302546
N-[[4-(difluoromethoxy)phenyl]methyl]-2-(4-methylphenoxy)acetamide
CID 42005185
5-[[4-(difluoromethoxy)phenyl]methylamino]-5-oxopentanoic acid
CID 60941319
(2R)-2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]-3-methylbutanamide
CID 79012907
N-[[4-(difluoromethoxy)phenyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119689663
N-benzyl-3-[4-(difluoromethoxy)phenyl]propanamide
CID 86922848

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-3-(ethylamino)butanamide?
The IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-3-(ethylamino)butanamide (CID 62839259) is N-[[4-(difluoromethoxy)phenyl]methyl]-3-(ethylamino)butanamide.
What is the SMILES notation for N-[[4-(difluoromethoxy)phenyl]methyl]-3-(ethylamino)butanamide?
The canonical SMILES for N-[[4-(difluoromethoxy)phenyl]methyl]-3-(ethylamino)butanamide is CCNC(C)CC(=O)NCc1ccc(OC(F)F)cc1.
What is the InChIKey of N-[[4-(difluoromethoxy)phenyl]methyl]-3-(ethylamino)butanamide?
The InChIKey is DEYQAFGLNJYZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O2/c1-3-17-10(2)8-13(19)18-9-11-4-6-12(7-5-11)20-14(15)16/h4-7,10,14,17H,3,8-9H2,1-2H3,(H,18,19).
What are the key properties of N-[[4-(difluoromethoxy)phenyl]methyl]-3-(ethylamino)butanamide?
N-[[4-(difluoromethoxy)phenyl]methyl]-3-(ethylamino)butanamide has a molecular weight of 286.32 g/mol, XLogP of 2.29, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)phenyl]methyl]-3-(ethylamino)butanamide is sourced from PubChem (CID 62839259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).