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

C14H20F2N2O2 — CID 62834915

IUPACN-[[4-(difluoromethoxy)phenyl]methyl]-3-(ethylamino)-N-methylpropanamide
SMILESCCNCCC(=O)N(C)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C14H20F2N2O2/c1-3-17-9-8-13(19)18(2)10-11-4-6-12(7-5-11)20-14(15)16/h4-7,14,17H,3,8-10H2,1-2H3
InChIKeyATJCHGPGLYNLMH-UHFFFAOYSA-N
MW286.32 g/mol
LogP2.25
Rot. Bonds8

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

N-[[4-(difluoromethoxy)phenyl]methyl]-3-(ethylamino)-N-methylpropanamide (PubChem CID 62834915) 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)-N-methylpropanamide.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)phenyl]methyl]-3-(ethylamino)-N-methylpropanamide
PubChem CID62834915
Molecular FormulaC14H20F2N2O2
Molecular Weight286.32 g/mol
Exact Mass286.15
IUPAC NameN-[[4-(difluoromethoxy)phenyl]methyl]-3-(ethylamino)-N-methylpropanamide
SMILESCCNCCC(=O)N(C)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C14H20F2N2O2/c1-3-17-9-8-13(19)18(2)10-11-4-6-12(7-5-11)20-14(15)16/h4-7,14,17H,3,8-10H2,1-2H3
InChIKeyATJCHGPGLYNLMH-UHFFFAOYSA-N
XLogP2.25
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpropanamide
CID 43470699
3-[4-(difluoromethoxy)phenyl]-N-[(4-ethylphenyl)methyl]-N-methylpropanamide
CID 78848081
4-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylbutanamide
CID 55206157
3-(benzenesulfonamido)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpropanamide
CID 31238693
N-[(4-bromophenyl)methyl]-3-[4-(difluoromethoxy)phenyl]-N-methylpropanamide
CID 78848085
2-(butan-2-ylamino)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide
CID 60646782
N-[4-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-4-oxobutyl]benzamide
CID 39758265
N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-4-(4-methylphenyl)-4-oxobutanamide
CID 55344317
2-(cyclopropylmethylamino)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide;hydrochloride
CID 119681823
N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-3-(2-nitroanilino)propanamide
CID 51328603
N-[(4-bromophenyl)methyl]-2-[4-(difluoromethoxy)phenyl]-N-methylacetamide
CID 78807837
(2S,3S)-2-[[2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-2-oxoethyl]amino]-3-methylpentanoic acid
CID 122099933

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-3-(ethylamino)-N-methylpropanamide?
The IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-3-(ethylamino)-N-methylpropanamide (CID 62834915) is N-[[4-(difluoromethoxy)phenyl]methyl]-3-(ethylamino)-N-methylpropanamide.
What is the SMILES notation for N-[[4-(difluoromethoxy)phenyl]methyl]-3-(ethylamino)-N-methylpropanamide?
The canonical SMILES for N-[[4-(difluoromethoxy)phenyl]methyl]-3-(ethylamino)-N-methylpropanamide is CCNCCC(=O)N(C)Cc1ccc(OC(F)F)cc1.
What is the InChIKey of N-[[4-(difluoromethoxy)phenyl]methyl]-3-(ethylamino)-N-methylpropanamide?
The InChIKey is ATJCHGPGLYNLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O2/c1-3-17-9-8-13(19)18(2)10-11-4-6-12(7-5-11)20-14(15)16/h4-7,14,17H,3,8-10H2,1-2H3.
What are the key properties of N-[[4-(difluoromethoxy)phenyl]methyl]-3-(ethylamino)-N-methylpropanamide?
N-[[4-(difluoromethoxy)phenyl]methyl]-3-(ethylamino)-N-methylpropanamide has a molecular weight of 286.32 g/mol, XLogP of 2.25, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)phenyl]methyl]-3-(ethylamino)-N-methylpropanamide is sourced from PubChem (CID 62834915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).