N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide

C18H22F2N2O3 — CID 8810396

IUPACN-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide
SMILESCc1ccc(CN(C)CC(=O)NCCc2ccc(OC(F)F)cc2)o1
InChIInChI=1S/C18H22F2N2O3/c1-13-3-6-16(24-13)11-22(2)12-17(23)21-10-9-14-4-7-15(8-5-14)25-18(19)20/h3-8,18H,9-12H2,1-2H3,(H,21,23)
InChIKeyMZWVHGYJPMQPKE-UHFFFAOYSA-N
MW352.38 g/mol
LogP2.98
Rot. Bonds9

About N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide

N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide (PubChem CID 8810396) has the molecular formula C18H22F2N2O3 and a molecular weight of 352.38 g/mol. Its IUPAC name is N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide
PubChem CID8810396
Molecular FormulaC18H22F2N2O3
Molecular Weight352.38 g/mol
Exact Mass352.16
IUPAC NameN-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide
SMILESCc1ccc(CN(C)CC(=O)NCCc2ccc(OC(F)F)cc2)o1
InChIInChI=1S/C18H22F2N2O3/c1-13-3-6-16(24-13)11-22(2)12-17(23)21-10-9-14-4-7-15(8-5-14)25-18(19)20/h3-8,18H,9-12H2,1-2H3,(H,21,23)
InChIKeyMZWVHGYJPMQPKE-UHFFFAOYSA-N
XLogP2.98
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.38
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]-methylamino]propanoic acid
CID 119911233
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]acetamide
CID 60500430
N-(2-aminoethyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide
CID 61208466
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(N,2,5-trimethylanilino)acetamide
CID 60525094
N-(cyclopropylmethyl)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetamide
CID 134038489
2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide
CID 87016535
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetamide
CID 8847181
N-[2-(5-methylfuran-2-yl)ethyl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide
CID 90651083
N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 8761409
2-amino-N-[2-[4-(difluoromethoxy)phenyl]ethyl]acetamide
CID 60672445
ethyl N-[2-[[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]-ethylamino]acetyl]carbamate
CID 8792471
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetamide
CID 18088007

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide?
The IUPAC name of N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide (CID 8810396) is N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide.
What is the SMILES notation for N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide?
The canonical SMILES for N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide is Cc1ccc(CN(C)CC(=O)NCCc2ccc(OC(F)F)cc2)o1.
What is the InChIKey of N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide?
The InChIKey is MZWVHGYJPMQPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N2O3/c1-13-3-6-16(24-13)11-22(2)12-17(23)21-10-9-14-4-7-15(8-5-14)25-18(19)20/h3-8,18H,9-12H2,1-2H3,(H,21,23).
What are the key properties of N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide?
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide has a molecular weight of 352.38 g/mol, XLogP of 2.98, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide is sourced from PubChem (CID 8810396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).