N-[2-(3-methylphenoxy)ethyl]-2-(propan-2-ylamino)acetamide

C14H22N2O2 — CID 54940324

IUPACN-[2-(3-methylphenoxy)ethyl]-2-(propan-2-ylamino)acetamide
SMILESCc1cccc(OCCNC(=O)CNC(C)C)c1
InChIInChI=1S/C14H22N2O2/c1-11(2)16-10-14(17)15-7-8-18-13-6-4-5-12(3)9-13/h4-6,9,11,16H,7-8,10H2,1-3H3,(H,15,17)
InChIKeyZYGLQCPIXOVMOP-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.49
Rot. Bonds7

About N-[2-(3-methylphenoxy)ethyl]-2-(propan-2-ylamino)acetamide

N-[2-(3-methylphenoxy)ethyl]-2-(propan-2-ylamino)acetamide (PubChem CID 54940324) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-[2-(3-methylphenoxy)ethyl]-2-(propan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-[2-(3-methylphenoxy)ethyl]-2-(propan-2-ylamino)acetamide
PubChem CID54940324
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-[2-(3-methylphenoxy)ethyl]-2-(propan-2-ylamino)acetamide
SMILESCc1cccc(OCCNC(=O)CNC(C)C)c1
InChIInChI=1S/C14H22N2O2/c1-11(2)16-10-14(17)15-7-8-18-13-6-4-5-12(3)9-13/h4-6,9,11,16H,7-8,10H2,1-3H3,(H,15,17)
InChIKeyZYGLQCPIXOVMOP-UHFFFAOYSA-N
XLogP1.49
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.49
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-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 8636590
N-(3-phenoxypropyl)-2-(propan-2-ylamino)acetamide
CID 62378949
2,2-dimethyl-N-[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl]propanamide
CID 31326707
N-(2-methoxyethyl)-2-[2-(3-methylphenoxy)ethylamino]acetamide
CID 54940682
N-[2-(3-methylphenoxy)ethyl]-2-(3-methylphenyl)acetamide
CID 113099136
2-(3-methylphenoxy)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 24533364
N-[2-(3-methylphenoxy)ethyl]-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 8868659
3,5-dimethyl-N-[2-[3-(3-methylphenoxy)propylamino]-2-oxoethyl]benzamide
CID 24552780
2-(3-fluorophenyl)-N-[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl]acetamide
CID 46489994
2-(3-acetamido-2-methylanilino)-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 34068567
N-[2-[3-(3-methylphenoxy)propylamino]-2-oxoethyl]-4-propan-2-yloxybenzamide
CID 24552786
N-[2-(4-methoxyphenoxy)ethyl]-2-(3-methylphenoxy)acetamide
CID 8935101

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylphenoxy)ethyl]-2-(propan-2-ylamino)acetamide?
The IUPAC name of N-[2-(3-methylphenoxy)ethyl]-2-(propan-2-ylamino)acetamide (CID 54940324) is N-[2-(3-methylphenoxy)ethyl]-2-(propan-2-ylamino)acetamide.
What is the SMILES notation for N-[2-(3-methylphenoxy)ethyl]-2-(propan-2-ylamino)acetamide?
The canonical SMILES for N-[2-(3-methylphenoxy)ethyl]-2-(propan-2-ylamino)acetamide is Cc1cccc(OCCNC(=O)CNC(C)C)c1.
What is the InChIKey of N-[2-(3-methylphenoxy)ethyl]-2-(propan-2-ylamino)acetamide?
The InChIKey is ZYGLQCPIXOVMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-11(2)16-10-14(17)15-7-8-18-13-6-4-5-12(3)9-13/h4-6,9,11,16H,7-8,10H2,1-3H3,(H,15,17).
What are the key properties of N-[2-(3-methylphenoxy)ethyl]-2-(propan-2-ylamino)acetamide?
N-[2-(3-methylphenoxy)ethyl]-2-(propan-2-ylamino)acetamide has a molecular weight of 250.34 g/mol, XLogP of 1.49, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylphenoxy)ethyl]-2-(propan-2-ylamino)acetamide is sourced from PubChem (CID 54940324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).