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

C13H20N4O2 — CID 61339992

IUPAC2-[[3-[1-(ethylamino)ethyl]phenyl]carbamoylamino]acetamide
SMILESCCNC(C)c1cccc(NC(=O)NCC(N)=O)c1
InChIInChI=1S/C13H20N4O2/c1-3-15-9(2)10-5-4-6-11(7-10)17-13(19)16-8-12(14)18/h4-7,9,15H,3,8H2,1-2H3,(H2,14,18)(H2,16,17,19)
InChIKeyPYDCEPARVYBHSH-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.96
Rot. Bonds6

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

2-[[3-[1-(ethylamino)ethyl]phenyl]carbamoylamino]acetamide (PubChem CID 61339992) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-[[3-[1-(ethylamino)ethyl]phenyl]carbamoylamino]acetamide.

Molecular Properties

Compound Name2-[[3-[1-(ethylamino)ethyl]phenyl]carbamoylamino]acetamide
PubChem CID61339992
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name2-[[3-[1-(ethylamino)ethyl]phenyl]carbamoylamino]acetamide
SMILESCCNC(C)c1cccc(NC(=O)NCC(N)=O)c1
InChIInChI=1S/C13H20N4O2/c1-3-15-9(2)10-5-4-6-11(7-10)17-13(19)16-8-12(14)18/h4-7,9,15H,3,8H2,1-2H3,(H2,14,18)(H2,16,17,19)
InChIKeyPYDCEPARVYBHSH-UHFFFAOYSA-N
XLogP0.96
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[1-(ethylamino)ethyl]phenyl]-3-(3,3,3-trifluoropropyl)urea
CID 63227876
1-[3-[1-(ethylamino)ethyl]phenyl]-3-pentan-3-ylurea
CID 61340352
N-[3-[1-(ethylamino)ethyl]phenyl]-2-methylpropanamide
CID 43507815
N-[3-[1-(ethylamino)ethyl]phenyl]-2-methylbutanamide
CID 43507836
2-[[3-[1-(ethylamino)ethyl]phenyl]carbamoylamino]-N-methylpropanamide
CID 61466725
2-[(3-ethylphenyl)carbamoylamino]acetamide
CID 144801383
2-[(3-methylphenyl)carbamoylamino]acetamide
CID 47122532
1-[3-[1-(ethylamino)ethyl]phenyl]-3-(thiatriazol-5-yl)urea
CID 114913975
1-[3-[1-(ethylamino)ethyl]phenyl]-3-(1H-imidazol-2-ylmethyl)urea
CID 64524358
1-[3-[1-(ethylamino)ethyl]phenyl]-3-piperidin-1-ylurea
CID 83017066
1-[3-[1-(ethylamino)ethyl]phenyl]-3-(oxolan-2-ylmethyl)urea
CID 61341839
1-(1-cyclopropylpropan-2-yl)-3-[3-[1-(ethylamino)ethyl]phenyl]urea
CID 63995585

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[1-(ethylamino)ethyl]phenyl]carbamoylamino]acetamide?
The IUPAC name of 2-[[3-[1-(ethylamino)ethyl]phenyl]carbamoylamino]acetamide (CID 61339992) is 2-[[3-[1-(ethylamino)ethyl]phenyl]carbamoylamino]acetamide.
What is the SMILES notation for 2-[[3-[1-(ethylamino)ethyl]phenyl]carbamoylamino]acetamide?
The canonical SMILES for 2-[[3-[1-(ethylamino)ethyl]phenyl]carbamoylamino]acetamide is CCNC(C)c1cccc(NC(=O)NCC(N)=O)c1.
What is the InChIKey of 2-[[3-[1-(ethylamino)ethyl]phenyl]carbamoylamino]acetamide?
The InChIKey is PYDCEPARVYBHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-3-15-9(2)10-5-4-6-11(7-10)17-13(19)16-8-12(14)18/h4-7,9,15H,3,8H2,1-2H3,(H2,14,18)(H2,16,17,19).
What are the key properties of 2-[[3-[1-(ethylamino)ethyl]phenyl]carbamoylamino]acetamide?
2-[[3-[1-(ethylamino)ethyl]phenyl]carbamoylamino]acetamide has a molecular weight of 264.33 g/mol, XLogP of 0.96, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[1-(ethylamino)ethyl]phenyl]carbamoylamino]acetamide is sourced from PubChem (CID 61339992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).