N-butyl-2-[[2-(ethoxymethyl)phenyl]methylamino]acetamide

C16H26N2O2 — CID 60976720

IUPACN-butyl-2-[[2-(ethoxymethyl)phenyl]methylamino]acetamide
SMILESCCCCNC(=O)CNCc1ccccc1COCC
InChIInChI=1S/C16H26N2O2/c1-3-5-10-18-16(19)12-17-11-14-8-6-7-9-15(14)13-20-4-2/h6-9,17H,3-5,10-13H2,1-2H3,(H,18,19)
InChIKeyKLYFCHLYHSMNAS-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.23
Rot. Bonds10

About N-butyl-2-[[2-(ethoxymethyl)phenyl]methylamino]acetamide

N-butyl-2-[[2-(ethoxymethyl)phenyl]methylamino]acetamide (PubChem CID 60976720) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-butyl-2-[[2-(ethoxymethyl)phenyl]methylamino]acetamide.

Molecular Properties

Compound NameN-butyl-2-[[2-(ethoxymethyl)phenyl]methylamino]acetamide
PubChem CID60976720
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-butyl-2-[[2-(ethoxymethyl)phenyl]methylamino]acetamide
SMILESCCCCNC(=O)CNCc1ccccc1COCC
InChIInChI=1S/C16H26N2O2/c1-3-5-10-18-16(19)12-17-11-14-8-6-7-9-15(14)13-20-4-2/h6-9,17H,3-5,10-13H2,1-2H3,(H,18,19)
InChIKeyKLYFCHLYHSMNAS-UHFFFAOYSA-N
XLogP2.23
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.23
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

N-butyl-2-[[2-(methoxymethyl)phenyl]methylamino]acetamide
CID 60977162
2-[[2-(ethoxymethyl)phenyl]methylamino]-N-methylacetamide
CID 54861824
ethyl 2-[[2-(ethoxymethyl)phenyl]methylamino]acetate
CID 60923273
1-butyl-3-[[2-(ethoxymethyl)phenyl]methyl]-2-methylguanidine;hydroiodide
CID 111152177
2-[[2-(ethoxymethyl)phenyl]methylamino]-N-(1-methoxypropan-2-yl)acetamide
CID 60976872
4-[[2-(ethoxymethyl)phenyl]methylamino]butanoic acid
CID 54861751
4-chloro-N-[[2-(ethoxymethyl)phenyl]methyl]butanamide
CID 63308069
1-[2-(ethoxymethyl)phenyl]-3-hexylurea
CID 60562677
2-(cyclopropylmethylamino)-N-[[2-(propoxymethyl)phenyl]methyl]acetamide;hydrochloride
CID 119734225
(2S)-2-amino-N-[[2-(ethoxymethyl)phenyl]methyl]pentanamide
CID 93359004
2-amino-3-[[2-(ethoxymethyl)phenyl]methylamino]propanamide
CID 103240297
N-butyl-2-naphthalen-1-ylacetamide
CID 56993604

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[[2-(ethoxymethyl)phenyl]methylamino]acetamide?
The IUPAC name of N-butyl-2-[[2-(ethoxymethyl)phenyl]methylamino]acetamide (CID 60976720) is N-butyl-2-[[2-(ethoxymethyl)phenyl]methylamino]acetamide.
What is the SMILES notation for N-butyl-2-[[2-(ethoxymethyl)phenyl]methylamino]acetamide?
The canonical SMILES for N-butyl-2-[[2-(ethoxymethyl)phenyl]methylamino]acetamide is CCCCNC(=O)CNCc1ccccc1COCC.
What is the InChIKey of N-butyl-2-[[2-(ethoxymethyl)phenyl]methylamino]acetamide?
The InChIKey is KLYFCHLYHSMNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-3-5-10-18-16(19)12-17-11-14-8-6-7-9-15(14)13-20-4-2/h6-9,17H,3-5,10-13H2,1-2H3,(H,18,19).
What are the key properties of N-butyl-2-[[2-(ethoxymethyl)phenyl]methylamino]acetamide?
N-butyl-2-[[2-(ethoxymethyl)phenyl]methylamino]acetamide has a molecular weight of 278.40 g/mol, XLogP of 2.23, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[[2-(ethoxymethyl)phenyl]methylamino]acetamide is sourced from PubChem (CID 60976720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).