2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-N-pentan-2-ylacetamide

C16H26N2O2 — CID 81387454

IUPAC2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CN[C@H](C)c1ccccc1OC
InChIInChI=1S/C16H26N2O2/c1-5-8-12(2)18-16(19)11-17-13(3)14-9-6-7-10-15(14)20-4/h6-7,9-10,12-13,17H,5,8,11H2,1-4H3,(H,18,19)/t12?,13-/m1/s1
InChIKeyGKBOCQQRFYYEBJ-ZGTCLIOFSA-N
MW278.40 g/mol
LogP2.65
Rot. Bonds8

About 2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-N-pentan-2-ylacetamide

2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-N-pentan-2-ylacetamide (PubChem CID 81387454) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-N-pentan-2-ylacetamide.

Molecular Properties

Compound Name2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-N-pentan-2-ylacetamide
PubChem CID81387454
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CN[C@H](C)c1ccccc1OC
InChIInChI=1S/C16H26N2O2/c1-5-8-12(2)18-16(19)11-17-13(3)14-9-6-7-10-15(14)20-4/h6-7,9-10,12-13,17H,5,8,11H2,1-4H3,(H,18,19)/t12?,13-/m1/s1
InChIKeyGKBOCQQRFYYEBJ-ZGTCLIOFSA-N
XLogP2.65
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]acetamide
CID 81386987
N-pentan-2-yl-2-(1-phenylethylamino)acetamide
CID 60684136
2-(2-methoxyphenoxy)-N-pentan-2-ylacetamide
CID 2957379
N-[2,6-di(propan-2-yl)phenyl]-2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]acetamide
CID 7986587
2-[1-(2-methoxyphenyl)ethylamino]-N,N-dimethylacetamide
CID 43214134
3-(ethylamino)-N-[(1R)-1-(2-methoxyphenyl)ethyl]butanamide
CID 81387789
N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-methylpentan-1-amine
CID 81397104
3-(ethylamino)-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 62834607
2-(aminomethyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]pentanamide
CID 81387473
2-[2-[(1S)-1-hydroxyethyl]phenoxy]-N-pentan-2-ylacetamide
CID 78931290
2-(pentan-2-ylamino)-N-propan-2-ylacetamide
CID 43179512
N-butan-2-yl-2-[1-(2-fluorophenyl)ethylamino]acetamide
CID 60693889

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-N-pentan-2-ylacetamide?
The IUPAC name of 2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-N-pentan-2-ylacetamide (CID 81387454) is 2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-N-pentan-2-ylacetamide.
What is the SMILES notation for 2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-N-pentan-2-ylacetamide?
The canonical SMILES for 2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-N-pentan-2-ylacetamide is CCCC(C)NC(=O)CN[C@H](C)c1ccccc1OC.
What is the InChIKey of 2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-N-pentan-2-ylacetamide?
The InChIKey is GKBOCQQRFYYEBJ-ZGTCLIOFSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-5-8-12(2)18-16(19)11-17-13(3)14-9-6-7-10-15(14)20-4/h6-7,9-10,12-13,17H,5,8,11H2,1-4H3,(H,18,19)/t12?,13-/m1/s1.
What are the key properties of 2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-N-pentan-2-ylacetamide?
2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-N-pentan-2-ylacetamide has a molecular weight of 278.40 g/mol, XLogP of 2.65, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-N-pentan-2-ylacetamide is sourced from PubChem (CID 81387454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).