N-cyclopropyl-2-[[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-2-oxoethyl]-methylamino]acetamide

C18H26FN3O3 — CID 8909798

IUPACN-cyclopropyl-2-[[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-2-oxoethyl]-methylamino]acetamide
SMILESCCN(Cc1ccc(OC)c(F)c1)C(=O)CN(C)CC(=O)NC1CC1
InChIInChI=1S/C18H26FN3O3/c1-4-22(10-13-5-8-16(25-3)15(19)9-13)18(24)12-21(2)11-17(23)20-14-6-7-14/h5,8-9,14H,4,6-7,10-12H2,1-3H3,(H,20,23)
InChIKeyGIKPFCSEKSNETJ-UHFFFAOYSA-N
MW351.42 g/mol
LogP1.39
Rot. Bonds9

About N-cyclopropyl-2-[[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-2-oxoethyl]-methylamino]acetamide

N-cyclopropyl-2-[[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-2-oxoethyl]-methylamino]acetamide (PubChem CID 8909798) has the molecular formula C18H26FN3O3 and a molecular weight of 351.42 g/mol. Its IUPAC name is N-cyclopropyl-2-[[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-2-oxoethyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-2-oxoethyl]-methylamino]acetamide
PubChem CID8909798
Molecular FormulaC18H26FN3O3
Molecular Weight351.42 g/mol
Exact Mass351.20
IUPAC NameN-cyclopropyl-2-[[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-2-oxoethyl]-methylamino]acetamide
SMILESCCN(Cc1ccc(OC)c(F)c1)C(=O)CN(C)CC(=O)NC1CC1
InChIInChI=1S/C18H26FN3O3/c1-4-22(10-13-5-8-16(25-3)15(19)9-13)18(24)12-21(2)11-17(23)20-14-6-7-14/h5,8-9,14H,4,6-7,10-12H2,1-3H3,(H,20,23)
InChIKeyGIKPFCSEKSNETJ-UHFFFAOYSA-N
XLogP1.39
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.42
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(cyclohexylcarbamoylamino)-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]propanamide
CID 18152378
2-amino-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide
CID 60712583
2-[(3-bromo-4-methoxyphenyl)methyl-methylamino]-N-cyclopropylacetamide
CID 8911502
N-(4-aminocyclohexyl)-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 119474491
3-cyclopropyl-1-[(3,4-dimethoxyphenyl)methyl]-1-ethylurea
CID 86916160
N-cyclopropyl-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide
CID 31691063
N-cyclopropyl-2-[methyl-[2-[(4-methylphenyl)methyl-propylamino]-2-oxoethyl]amino]acetamide
CID 8910208
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]acetamide
CID 40938536
2-[[2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-2-oxoethyl]-methylamino]-N-cyclopropylacetamide
CID 8910725
ethyl-[2-(ethylamino)-2-oxoethyl]-[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-2-oxoethyl]azanium
CID 8682973
2-[(3-bromo-4-fluorophenyl)methyl-methylamino]-N-cyclopropylacetamide
CID 54980387
N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 60710815

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-2-oxoethyl]-methylamino]acetamide?
The IUPAC name of N-cyclopropyl-2-[[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-2-oxoethyl]-methylamino]acetamide (CID 8909798) is N-cyclopropyl-2-[[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-2-oxoethyl]-methylamino]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-2-oxoethyl]-methylamino]acetamide?
The canonical SMILES for N-cyclopropyl-2-[[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-2-oxoethyl]-methylamino]acetamide is CCN(Cc1ccc(OC)c(F)c1)C(=O)CN(C)CC(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-2-oxoethyl]-methylamino]acetamide?
The InChIKey is GIKPFCSEKSNETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O3/c1-4-22(10-13-5-8-16(25-3)15(19)9-13)18(24)12-21(2)11-17(23)20-14-6-7-14/h5,8-9,14H,4,6-7,10-12H2,1-3H3,(H,20,23).
What are the key properties of N-cyclopropyl-2-[[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-2-oxoethyl]-methylamino]acetamide?
N-cyclopropyl-2-[[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-2-oxoethyl]-methylamino]acetamide has a molecular weight of 351.42 g/mol, XLogP of 1.39, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-2-oxoethyl]-methylamino]acetamide is sourced from PubChem (CID 8909798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).