N-butyl-2-[[[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]acetamide

C20H24F2N2O2 — CID 18088700

IUPACN-butyl-2-[[[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]acetamide
SMILESCCCCNC(=O)CNC(c1ccccc1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C20H24F2N2O2/c1-2-3-13-23-18(25)14-24-19(15-7-5-4-6-8-15)16-9-11-17(12-10-16)26-20(21)22/h4-12,19-20,24H,2-3,13-14H2,1H3,(H,23,25)
InChIKeyINHXGDPPGPOYDW-UHFFFAOYSA-N
MW362.42 g/mol
LogP3.88
Rot. Bonds10

About N-butyl-2-[[[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]acetamide

N-butyl-2-[[[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]acetamide (PubChem CID 18088700) has the molecular formula C20H24F2N2O2 and a molecular weight of 362.42 g/mol. Its IUPAC name is N-butyl-2-[[[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]acetamide.

Molecular Properties

Compound NameN-butyl-2-[[[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]acetamide
PubChem CID18088700
Molecular FormulaC20H24F2N2O2
Molecular Weight362.42 g/mol
Exact Mass362.18
IUPAC NameN-butyl-2-[[[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]acetamide
SMILESCCCCNC(=O)CNC(c1ccccc1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C20H24F2N2O2/c1-2-3-13-23-18(25)14-24-19(15-7-5-4-6-8-15)16-9-11-17(12-10-16)26-20(21)22/h4-12,19-20,24H,2-3,13-14H2,1H3,(H,23,25)
InChIKeyINHXGDPPGPOYDW-UHFFFAOYSA-N
XLogP3.88
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.42
LogP ≤ 53.88
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

2-[[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]-N-[2-(ethylamino)-2-oxoethyl]acetamide
CID 8830857
2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]-N-[2-(methylamino)-2-oxoethyl]acetamide
CID 8830920
2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]-N-prop-2-ynylacetamide
CID 8830778
N-[[(2R)-butan-2-yl]carbamoyl]-2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]acetamide
CID 8720427
[2-(butylcarbamoylamino)-2-oxoethyl]-[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]azanium
CID 8830996
N-(3-acetylphenyl)-2-[[(S)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]acetamide
CID 40894967
N-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-3-[(2-phenylacetyl)amino]propanamide
CID 24597044
N-butyl-2-[(2-hydroxy-1-phenylethyl)amino]acetamide
CID 63182961
methyl 4-[[2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetyl]amino]butanoate
CID 8641186
N'-[2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]acetyl]furan-2-carbohydrazide
CID 8830525
4-(difluoromethoxy)-N-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethyl]benzamide
CID 43048234
N-(3-cyanothiophen-2-yl)-2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]acetamide
CID 8720364

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[[[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]acetamide?
The IUPAC name of N-butyl-2-[[[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]acetamide (CID 18088700) is N-butyl-2-[[[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]acetamide.
What is the SMILES notation for N-butyl-2-[[[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]acetamide?
The canonical SMILES for N-butyl-2-[[[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]acetamide is CCCCNC(=O)CNC(c1ccccc1)c1ccc(OC(F)F)cc1.
What is the InChIKey of N-butyl-2-[[[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]acetamide?
The InChIKey is INHXGDPPGPOYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N2O2/c1-2-3-13-23-18(25)14-24-19(15-7-5-4-6-8-15)16-9-11-17(12-10-16)26-20(21)22/h4-12,19-20,24H,2-3,13-14H2,1H3,(H,23,25).
What are the key properties of N-butyl-2-[[[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]acetamide?
N-butyl-2-[[[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]acetamide has a molecular weight of 362.42 g/mol, XLogP of 3.88, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[[[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]acetamide is sourced from PubChem (CID 18088700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).