2-[2-[[3-[1-(methylamino)ethyl]phenyl]carbamoylamino]ethoxy]acetamide

C14H22N4O3 — CID 106240894

IUPAC2-[2-[[3-[1-(methylamino)ethyl]phenyl]carbamoylamino]ethoxy]acetamide
SMILESCNC(C)c1cccc(NC(=O)NCCOCC(N)=O)c1
InChIInChI=1S/C14H22N4O3/c1-10(16-2)11-4-3-5-12(8-11)18-14(20)17-6-7-21-9-13(15)19/h3-5,8,10,16H,6-7,9H2,1-2H3,(H2,15,19)(H2,17,18,20)
InChIKeyLSDOUTAWTZNYEK-UHFFFAOYSA-N
MW294.36 g/mol
LogP0.59
Rot. Bonds8

About 2-[2-[[3-[1-(methylamino)ethyl]phenyl]carbamoylamino]ethoxy]acetamide

2-[2-[[3-[1-(methylamino)ethyl]phenyl]carbamoylamino]ethoxy]acetamide (PubChem CID 106240894) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is 2-[2-[[3-[1-(methylamino)ethyl]phenyl]carbamoylamino]ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[[3-[1-(methylamino)ethyl]phenyl]carbamoylamino]ethoxy]acetamide
PubChem CID106240894
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC Name2-[2-[[3-[1-(methylamino)ethyl]phenyl]carbamoylamino]ethoxy]acetamide
SMILESCNC(C)c1cccc(NC(=O)NCCOCC(N)=O)c1
InChIInChI=1S/C14H22N4O3/c1-10(16-2)11-4-3-5-12(8-11)18-14(20)17-6-7-21-9-13(15)19/h3-5,8,10,16H,6-7,9H2,1-2H3,(H2,15,19)(H2,17,18,20)
InChIKeyLSDOUTAWTZNYEK-UHFFFAOYSA-N
XLogP0.59
TPSA105.48 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 50.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(1-aminoethyl)phenyl]-3-(2-methoxyethyl)urea
CID 61340896
2-ethoxy-N-[3-[1-(methylamino)ethyl]phenyl]acetamide
CID 43507750
1-[3-(1-aminoethyl)phenyl]-3-propylurea
CID 43210542
2-[2-[[4-(aminomethyl)phenyl]carbamoylamino]ethoxy]acetamide
CID 106238550
N-[3-[1-(methylamino)ethyl]phenyl]acetamide
CID 43200396
1-[3-(1-hydroxyethyl)phenyl]-3-(2-propan-2-yloxyethyl)urea
CID 104765102
1-[3-[1-(methylamino)ethyl]phenyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]urea
CID 62103619
1-butan-2-yl-3-[3-[1-(methylamino)ethyl]phenyl]urea
CID 61341261
2-[[3-[1-(ethylamino)ethyl]phenyl]carbamoylamino]acetamide
CID 61339992
N-[3-[1-[2-(2-methylprop-2-enoxy)ethylamino]ethyl]phenyl]acetamide
CID 115894064
2-methyl-N-[3-[1-(methylamino)ethyl]phenyl]propanamide
CID 43507738
N-[3-[1-(methylamino)ethyl]phenyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112602422

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[3-[1-(methylamino)ethyl]phenyl]carbamoylamino]ethoxy]acetamide?
The IUPAC name of 2-[2-[[3-[1-(methylamino)ethyl]phenyl]carbamoylamino]ethoxy]acetamide (CID 106240894) is 2-[2-[[3-[1-(methylamino)ethyl]phenyl]carbamoylamino]ethoxy]acetamide.
What is the SMILES notation for 2-[2-[[3-[1-(methylamino)ethyl]phenyl]carbamoylamino]ethoxy]acetamide?
The canonical SMILES for 2-[2-[[3-[1-(methylamino)ethyl]phenyl]carbamoylamino]ethoxy]acetamide is CNC(C)c1cccc(NC(=O)NCCOCC(N)=O)c1.
What is the InChIKey of 2-[2-[[3-[1-(methylamino)ethyl]phenyl]carbamoylamino]ethoxy]acetamide?
The InChIKey is LSDOUTAWTZNYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-10(16-2)11-4-3-5-12(8-11)18-14(20)17-6-7-21-9-13(15)19/h3-5,8,10,16H,6-7,9H2,1-2H3,(H2,15,19)(H2,17,18,20).
What are the key properties of 2-[2-[[3-[1-(methylamino)ethyl]phenyl]carbamoylamino]ethoxy]acetamide?
2-[2-[[3-[1-(methylamino)ethyl]phenyl]carbamoylamino]ethoxy]acetamide has a molecular weight of 294.36 g/mol, XLogP of 0.59, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[3-[1-(methylamino)ethyl]phenyl]carbamoylamino]ethoxy]acetamide is sourced from PubChem (CID 106240894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).