N-butyl-2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]acetamide

C15H24N2O2 — CID 81386987

IUPACN-butyl-2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]acetamide
SMILESCCCCNC(=O)CN[C@H](C)c1ccccc1OC
InChIInChI=1S/C15H24N2O2/c1-4-5-10-16-15(18)11-17-12(2)13-8-6-7-9-14(13)19-3/h6-9,12,17H,4-5,10-11H2,1-3H3,(H,16,18)/t12-/m1/s1
InChIKeyNEHUKPVRMVDHNI-GFCCVEGCSA-N
MW264.37 g/mol
LogP2.26
Rot. Bonds8

About N-butyl-2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]acetamide

N-butyl-2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]acetamide (PubChem CID 81386987) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-butyl-2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-butyl-2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]acetamide
PubChem CID81386987
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN-butyl-2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]acetamide
SMILESCCCCNC(=O)CN[C@H](C)c1ccccc1OC
InChIInChI=1S/C15H24N2O2/c1-4-5-10-16-15(18)11-17-12(2)13-8-6-7-9-14(13)19-3/h6-9,12,17H,4-5,10-11H2,1-3H3,(H,16,18)/t12-/m1/s1
InChIKeyNEHUKPVRMVDHNI-GFCCVEGCSA-N
XLogP2.26
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.26
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-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-N-pentan-2-ylacetamide
CID 81387454
N-[2-(2-methoxyphenoxy)ethyl]-2-[[(1R)-1-naphthalen-1-ylethyl]amino]acetamide
CID 8695450
2-[1-(2-ethoxyphenyl)ethylamino]-N-(2-methylpropyl)acetamide
CID 115900155
N-[2,6-di(propan-2-yl)phenyl]-2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]acetamide
CID 7986587
2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-N-(3-methoxypropyl)acetamide
CID 81380351
N-[2-(4-chlorophenyl)sulfanylethyl]-2-[1-(2-methoxyphenyl)ethylamino]acetamide;oxalic acid
CID 47010932
2-[1-(2-fluorophenyl)ethylamino]-N-propylacetamide
CID 43400999
2-[1-(2-methoxyphenyl)ethylamino]-N,N-dimethylacetamide
CID 43214134
N-[2-[1-(2-methoxyphenyl)ethylamino]ethyl]-2-methylpropanamide
CID 43202951
N-(butylcarbamoyl)-2-[1-(2-fluorophenyl)ethylamino]acetamide
CID 18088433
N-(1-adamantylmethyl)-2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]acetamide
CID 7874060
N-[2-(cyclohexen-1-yl)ethyl]-2-[1-(2-methoxyphenyl)ethylamino]acetamide;oxalic acid
CID 47006554

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]acetamide?
The IUPAC name of N-butyl-2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]acetamide (CID 81386987) is N-butyl-2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]acetamide.
What is the SMILES notation for N-butyl-2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]acetamide?
The canonical SMILES for N-butyl-2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]acetamide is CCCCNC(=O)CN[C@H](C)c1ccccc1OC.
What is the InChIKey of N-butyl-2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]acetamide?
The InChIKey is NEHUKPVRMVDHNI-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-4-5-10-16-15(18)11-17-12(2)13-8-6-7-9-14(13)19-3/h6-9,12,17H,4-5,10-11H2,1-3H3,(H,16,18)/t12-/m1/s1.
What are the key properties of N-butyl-2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]acetamide?
N-butyl-2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]acetamide has a molecular weight of 264.37 g/mol, XLogP of 2.26, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]acetamide is sourced from PubChem (CID 81386987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).