N-[3-[[2-(2-aminoethoxy)acetyl]amino]phenyl]propanamide

C13H19N3O3 — CID 79473101

IUPACN-[3-[[2-(2-aminoethoxy)acetyl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(NC(=O)COCCN)c1
InChIInChI=1S/C13H19N3O3/c1-2-12(17)15-10-4-3-5-11(8-10)16-13(18)9-19-7-6-14/h3-5,8H,2,6-7,9,14H2,1H3,(H,15,17)(H,16,18)
InChIKeyVRUDKLGKJATNGP-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.95
Rot. Bonds7

About N-[3-[[2-(2-aminoethoxy)acetyl]amino]phenyl]propanamide

N-[3-[[2-(2-aminoethoxy)acetyl]amino]phenyl]propanamide (PubChem CID 79473101) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-[3-[[2-(2-aminoethoxy)acetyl]amino]phenyl]propanamide.

Molecular Properties

Compound NameN-[3-[[2-(2-aminoethoxy)acetyl]amino]phenyl]propanamide
PubChem CID79473101
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC NameN-[3-[[2-(2-aminoethoxy)acetyl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(NC(=O)COCCN)c1
InChIInChI=1S/C13H19N3O3/c1-2-12(17)15-10-4-3-5-11(8-10)16-13(18)9-19-7-6-14/h3-5,8H,2,6-7,9,14H2,1H3,(H,15,17)(H,16,18)
InChIKeyVRUDKLGKJATNGP-UHFFFAOYSA-N
XLogP0.95
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.95
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

3-[[2-(2-aminoethoxy)acetyl]amino]benzamide
CID 79479318
2-(2-aminoethoxy)-N-[3-(sulfamoylamino)phenyl]acetamide
CID 79473135
N-[3-[(2-but-3-enoxyacetyl)amino]phenyl]propanamide
CID 47078342
2-(2-aminoethoxy)-N-(3-butan-2-yloxyphenyl)acetamide
CID 79479756
N-(4-acetamidophenyl)-2-(2-aminoethoxy)acetamide
CID 79463401
2-(2-aminoethoxy)-N-(3-pyrrolidin-1-ylphenyl)acetamide
CID 79473484
ethyl N-[4-[[2-(2-aminoethoxy)acetyl]amino]phenyl]carbamate
CID 79472872
2-(3-aminopropoxy)-N-(3-chlorophenyl)acetamide
CID 62343844
2-(2-aminoethoxy)-N-(3-hydroxy-4-methoxyphenyl)acetamide
CID 79473739
2-(2-aminoethoxy)-N-(3-chloro-4-ethoxyphenyl)acetamide
CID 79472891
2-(2-aminoethoxy)-N-(3,5-dimethoxyphenyl)acetamide
CID 79464071
4-amino-3-methoxy-N-[3-(propanoylamino)phenyl]butanamide
CID 103155505

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(2-aminoethoxy)acetyl]amino]phenyl]propanamide?
The IUPAC name of N-[3-[[2-(2-aminoethoxy)acetyl]amino]phenyl]propanamide (CID 79473101) is N-[3-[[2-(2-aminoethoxy)acetyl]amino]phenyl]propanamide.
What is the SMILES notation for N-[3-[[2-(2-aminoethoxy)acetyl]amino]phenyl]propanamide?
The canonical SMILES for N-[3-[[2-(2-aminoethoxy)acetyl]amino]phenyl]propanamide is CCC(=O)Nc1cccc(NC(=O)COCCN)c1.
What is the InChIKey of N-[3-[[2-(2-aminoethoxy)acetyl]amino]phenyl]propanamide?
The InChIKey is VRUDKLGKJATNGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-2-12(17)15-10-4-3-5-11(8-10)16-13(18)9-19-7-6-14/h3-5,8H,2,6-7,9,14H2,1H3,(H,15,17)(H,16,18).
What are the key properties of N-[3-[[2-(2-aminoethoxy)acetyl]amino]phenyl]propanamide?
N-[3-[[2-(2-aminoethoxy)acetyl]amino]phenyl]propanamide has a molecular weight of 265.31 g/mol, XLogP of 0.95, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(2-aminoethoxy)acetyl]amino]phenyl]propanamide is sourced from PubChem (CID 79473101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).