2-[1-(3-acetamidophenyl)ethylamino]-N-carbamoylacetamide

C13H18N4O3 — CID 60979755

IUPAC2-[1-(3-acetamidophenyl)ethylamino]-N-carbamoylacetamide
SMILESCC(=O)Nc1cccc(C(C)NCC(=O)NC(N)=O)c1
InChIInChI=1S/C13H18N4O3/c1-8(15-7-12(19)17-13(14)20)10-4-3-5-11(6-10)16-9(2)18/h3-6,8,15H,7H2,1-2H3,(H,16,18)(H3,14,17,19,20)
InChIKeyCUAJESQMQCHHAZ-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.49
Rot. Bonds5

About 2-[1-(3-acetamidophenyl)ethylamino]-N-carbamoylacetamide

2-[1-(3-acetamidophenyl)ethylamino]-N-carbamoylacetamide (PubChem CID 60979755) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-[1-(3-acetamidophenyl)ethylamino]-N-carbamoylacetamide.

Molecular Properties

Compound Name2-[1-(3-acetamidophenyl)ethylamino]-N-carbamoylacetamide
PubChem CID60979755
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Name2-[1-(3-acetamidophenyl)ethylamino]-N-carbamoylacetamide
SMILESCC(=O)Nc1cccc(C(C)NCC(=O)NC(N)=O)c1
InChIInChI=1S/C13H18N4O3/c1-8(15-7-12(19)17-13(14)20)10-4-3-5-11(6-10)16-9(2)18/h3-6,8,15H,7H2,1-2H3,(H,16,18)(H3,14,17,19,20)
InChIKeyCUAJESQMQCHHAZ-UHFFFAOYSA-N
XLogP0.49
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[1-[(2,3-dihydroxy-2-methylpropyl)amino]ethyl]phenyl]acetamide
CID 66170692
N-[3-[1-(but-2-ynylamino)ethyl]phenyl]acetamide
CID 62309945
N-carbamoyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetamide
CID 81410117
N-(3-acetamidophenyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 32705841
N-[3-[1-[(2-methoxy-2-methylpropyl)amino]ethyl]phenyl]acetamide
CID 115728578
N-[3-[1-(methylamino)ethyl]phenyl]acetamide
CID 43200396
N-[1-(3-acetamidophenyl)ethyl]-3-oxobutanamide
CID 54880254
N-[3-[1-(2-hydroxybutylamino)ethyl]phenyl]acetamide
CID 54880370
N-[1-(3-acetamidophenyl)ethyl]-3-aminobutanamide
CID 54880253
N-[3-[1-[[2-ethyl-2-(hydroxymethyl)butyl]amino]ethyl]phenyl]acetamide
CID 81399857
N-[3-[1-[(2-hydroxy-2-phenylpropyl)amino]ethyl]phenyl]acetamide
CID 110912716
N-[3-[1-(5-hydroxypentylamino)ethyl]phenyl]acetamide
CID 55053195

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-acetamidophenyl)ethylamino]-N-carbamoylacetamide?
The IUPAC name of 2-[1-(3-acetamidophenyl)ethylamino]-N-carbamoylacetamide (CID 60979755) is 2-[1-(3-acetamidophenyl)ethylamino]-N-carbamoylacetamide.
What is the SMILES notation for 2-[1-(3-acetamidophenyl)ethylamino]-N-carbamoylacetamide?
The canonical SMILES for 2-[1-(3-acetamidophenyl)ethylamino]-N-carbamoylacetamide is CC(=O)Nc1cccc(C(C)NCC(=O)NC(N)=O)c1.
What is the InChIKey of 2-[1-(3-acetamidophenyl)ethylamino]-N-carbamoylacetamide?
The InChIKey is CUAJESQMQCHHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c1-8(15-7-12(19)17-13(14)20)10-4-3-5-11(6-10)16-9(2)18/h3-6,8,15H,7H2,1-2H3,(H,16,18)(H3,14,17,19,20).
What are the key properties of 2-[1-(3-acetamidophenyl)ethylamino]-N-carbamoylacetamide?
2-[1-(3-acetamidophenyl)ethylamino]-N-carbamoylacetamide has a molecular weight of 278.31 g/mol, XLogP of 0.49, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-acetamidophenyl)ethylamino]-N-carbamoylacetamide is sourced from PubChem (CID 60979755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).