2-(butan-2-ylamino)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide

C16H26N2O2 — CID 60939770

IUPAC2-(butan-2-ylamino)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide
SMILESCCC(C)NCC(=O)N(C)C(C)c1ccccc1OC
InChIInChI=1S/C16H26N2O2/c1-6-12(2)17-11-16(19)18(4)13(3)14-9-7-8-10-15(14)20-5/h7-10,12-13,17H,6,11H2,1-5H3
InChIKeyMXYOAHABCCWVCL-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.60
Rot. Bonds7

About 2-(butan-2-ylamino)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide

2-(butan-2-ylamino)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide (PubChem CID 60939770) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(butan-2-ylamino)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide
PubChem CID60939770
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-(butan-2-ylamino)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide
SMILESCCC(C)NCC(=O)N(C)C(C)c1ccccc1OC
InChIInChI=1S/C16H26N2O2/c1-6-12(2)17-11-16(19)18(4)13(3)14-9-7-8-10-15(14)20-5/h7-10,12-13,17H,6,11H2,1-5H3
InChIKeyMXYOAHABCCWVCL-UHFFFAOYSA-N
XLogP2.60
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2-methoxyphenyl)ethylamino]-N,N-dimethylacetamide
CID 43214134
3,4-dimethoxy-N-[2-[1-(2-methoxyphenyl)ethyl-methylamino]-2-oxoethyl]benzamide
CID 55580515
N-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-(methylamino)butanamide
CID 54871032
N-[2-[1-(2-methoxyphenyl)ethyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 134054612
2-(butan-2-ylamino)-N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 60952866
(1R)-N-ethyl-1-(2-methoxyphenyl)-N-methylethanamine
CID 118327627
ethyl 2-[[(1R)-1-(2-methoxyphenyl)ethyl]-methylamino]acetate
CID 94157373
2-(butan-2-ylamino)-N-(2-methoxyphenyl)acetamide
CID 43179381
2-(butan-2-ylamino)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylacetamide
CID 61258818
5-bromo-N-[2-[1-(2-methoxyphenyl)ethyl-methylamino]-2-oxoethyl]furan-2-carboxamide
CID 55580820
2-cyclohexyl-N-[2-[[(1R)-1-(2-methoxyphenyl)ethyl]-methylamino]-2-oxoethyl]acetamide
CID 52539243
N-butan-2-yl-2-methoxybenzamide
CID 3117660

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide?
The IUPAC name of 2-(butan-2-ylamino)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide (CID 60939770) is 2-(butan-2-ylamino)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide.
What is the SMILES notation for 2-(butan-2-ylamino)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide?
The canonical SMILES for 2-(butan-2-ylamino)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide is CCC(C)NCC(=O)N(C)C(C)c1ccccc1OC.
What is the InChIKey of 2-(butan-2-ylamino)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide?
The InChIKey is MXYOAHABCCWVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-6-12(2)17-11-16(19)18(4)13(3)14-9-7-8-10-15(14)20-5/h7-10,12-13,17H,6,11H2,1-5H3.
What are the key properties of 2-(butan-2-ylamino)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide?
2-(butan-2-ylamino)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide has a molecular weight of 278.40 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-N-[1-(2-methoxyphenyl)ethyl]-N-methylacetamide is sourced from PubChem (CID 60939770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).