2-[4-[[2-(1H-imidazol-5-yl)ethylamino]methyl]phenoxy]acetamide

C14H18N4O2 — CID 64988514

IUPAC2-[4-[[2-(1H-imidazol-5-yl)ethylamino]methyl]phenoxy]acetamide
SMILESNC(=O)COc1ccc(CNCCc2cnc[nH]2)cc1
InChIInChI=1S/C14H18N4O2/c15-14(19)9-20-13-3-1-11(2-4-13)7-16-6-5-12-8-17-10-18-12/h1-4,8,10,16H,5-7,9H2,(H2,15,19)(H,17,18)
InChIKeySMFNUYCARUSBEN-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.61
Rot. Bonds8

About 2-[4-[[2-(1H-imidazol-5-yl)ethylamino]methyl]phenoxy]acetamide

2-[4-[[2-(1H-imidazol-5-yl)ethylamino]methyl]phenoxy]acetamide (PubChem CID 64988514) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[4-[[2-(1H-imidazol-5-yl)ethylamino]methyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[[2-(1H-imidazol-5-yl)ethylamino]methyl]phenoxy]acetamide
PubChem CID64988514
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name2-[4-[[2-(1H-imidazol-5-yl)ethylamino]methyl]phenoxy]acetamide
SMILESNC(=O)COc1ccc(CNCCc2cnc[nH]2)cc1
InChIInChI=1S/C14H18N4O2/c15-14(19)9-20-13-3-1-11(2-4-13)7-16-6-5-12-8-17-10-18-12/h1-4,8,10,16H,5-7,9H2,(H2,15,19)(H,17,18)
InChIKeySMFNUYCARUSBEN-UHFFFAOYSA-N
XLogP0.61
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[[2-(1H-imidazol-5-yl)ethylamino]methyl]phenoxy]acetonitrile
CID 65232443
2-[[4-(2-amino-2-oxoethoxy)phenyl]methylamino]ethyl carbamate
CID 83211507
3-[[2-(1H-imidazol-5-yl)ethylamino]methyl]benzamide
CID 65232486
2-[4-[[3-(1H-1,2,4-triazol-5-yl)propylamino]methyl]phenoxy]acetamide
CID 64547110
2-[2-(1H-imidazol-5-ylmethylamino)ethoxy]acetamide
CID 106235178
2-(1H-imidazol-5-yl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 114936779
2-(1H-imidazol-5-yl)-N-(naphthalen-2-ylmethyl)ethanamine
CID 65230734
4-[(1H-imidazol-5-ylmethylamino)methyl]benzamide
CID 62999360
2-[4-[[(2-amino-2-oxoethyl)amino]methyl]phenoxy]acetic acid
CID 71422873
2-[4-[(2,2-dimethylpropylamino)methyl]phenoxy]acetamide
CID 61166013
2-(1H-imidazol-5-yl)ethylurea
CID 10582986
2-[4-[[(4-hydroxycyclohexyl)methylamino]methyl]phenoxy]acetamide
CID 106125082

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(1H-imidazol-5-yl)ethylamino]methyl]phenoxy]acetamide?
The IUPAC name of 2-[4-[[2-(1H-imidazol-5-yl)ethylamino]methyl]phenoxy]acetamide (CID 64988514) is 2-[4-[[2-(1H-imidazol-5-yl)ethylamino]methyl]phenoxy]acetamide.
What is the SMILES notation for 2-[4-[[2-(1H-imidazol-5-yl)ethylamino]methyl]phenoxy]acetamide?
The canonical SMILES for 2-[4-[[2-(1H-imidazol-5-yl)ethylamino]methyl]phenoxy]acetamide is NC(=O)COc1ccc(CNCCc2cnc[nH]2)cc1.
What is the InChIKey of 2-[4-[[2-(1H-imidazol-5-yl)ethylamino]methyl]phenoxy]acetamide?
The InChIKey is SMFNUYCARUSBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c15-14(19)9-20-13-3-1-11(2-4-13)7-16-6-5-12-8-17-10-18-12/h1-4,8,10,16H,5-7,9H2,(H2,15,19)(H,17,18).
What are the key properties of 2-[4-[[2-(1H-imidazol-5-yl)ethylamino]methyl]phenoxy]acetamide?
2-[4-[[2-(1H-imidazol-5-yl)ethylamino]methyl]phenoxy]acetamide has a molecular weight of 274.32 g/mol, XLogP of 0.61, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(1H-imidazol-5-yl)ethylamino]methyl]phenoxy]acetamide is sourced from PubChem (CID 64988514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).