N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-(prop-2-ynylamino)acetamide

C15H20N2O2 — CID 79287117

IUPACN-methyl-N-[2-(4-methylphenoxy)ethyl]-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)N(C)CCOc1ccc(C)cc1
InChIInChI=1S/C15H20N2O2/c1-4-9-16-12-15(18)17(3)10-11-19-14-7-5-13(2)6-8-14/h1,5-8,16H,9-12H2,2-3H3
InChIKeyDDRIATPSSGIDEB-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.06
Rot. Bonds7

About N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-(prop-2-ynylamino)acetamide

N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-(prop-2-ynylamino)acetamide (PubChem CID 79287117) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-(prop-2-ynylamino)acetamide.

Molecular Properties

Compound NameN-methyl-N-[2-(4-methylphenoxy)ethyl]-2-(prop-2-ynylamino)acetamide
PubChem CID79287117
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-methyl-N-[2-(4-methylphenoxy)ethyl]-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)N(C)CCOc1ccc(C)cc1
InChIInChI=1S/C15H20N2O2/c1-4-9-16-12-15(18)17(3)10-11-19-14-7-5-13(2)6-8-14/h1,5-8,16H,9-12H2,2-3H3
InChIKeyDDRIATPSSGIDEB-UHFFFAOYSA-N
XLogP1.06
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-2-(prop-2-ynylamino)acetamide
CID 112722313
2-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 60937297
2-methyl-N-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]benzamide
CID 51241984
3-acetamido-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 47120479
3-amino-N,3-dimethyl-N-[2-(4-methylphenoxy)ethyl]butanamide
CID 64685287
N-methyl-N-[2-(4-methylphenoxy)ethyl]-3-(propan-2-ylamino)propanamide
CID 60938139
2-hydroxy-N-methyl-N-[3-(4-methylphenoxy)propyl]acetamide
CID 142802550
N-methyl-N-(2-phenylethyl)-2-(prop-2-ynylamino)acetamide
CID 79287307
N-methyl-N-(2-phenoxyethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914965
2-(4-aminophenyl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 119695381
4-amino-3-methoxy-N-methyl-N-[2-(4-methylphenoxy)ethyl]butanamide
CID 103155037
2-[1-(aminomethyl)cyclobutyl]-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 81172117

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-(prop-2-ynylamino)acetamide?
The IUPAC name of N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-(prop-2-ynylamino)acetamide (CID 79287117) is N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-(prop-2-ynylamino)acetamide.
What is the SMILES notation for N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-(prop-2-ynylamino)acetamide?
The canonical SMILES for N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-(prop-2-ynylamino)acetamide is C#CCNCC(=O)N(C)CCOc1ccc(C)cc1.
What is the InChIKey of N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-(prop-2-ynylamino)acetamide?
The InChIKey is DDRIATPSSGIDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-4-9-16-12-15(18)17(3)10-11-19-14-7-5-13(2)6-8-14/h1,5-8,16H,9-12H2,2-3H3.
What are the key properties of N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-(prop-2-ynylamino)acetamide?
N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-(prop-2-ynylamino)acetamide has a molecular weight of 260.34 g/mol, XLogP of 1.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-(prop-2-ynylamino)acetamide is sourced from PubChem (CID 79287117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).