N-[3-(2-aminoethoxy)phenyl]-3-(triazol-1-yl)propanamide

C13H17N5O2 — CID 63121181

IUPACN-[3-(2-aminoethoxy)phenyl]-3-(triazol-1-yl)propanamide
SMILESNCCOc1cccc(NC(=O)CCn2ccnn2)c1
InChIInChI=1S/C13H17N5O2/c14-5-9-20-12-3-1-2-11(10-12)16-13(19)4-7-18-8-6-15-17-18/h1-3,6,8,10H,4-5,7,9,14H2,(H,16,19)
InChIKeyKSMICIZZFANWBD-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.64
Rot. Bonds7

About N-[3-(2-aminoethoxy)phenyl]-3-(triazol-1-yl)propanamide

N-[3-(2-aminoethoxy)phenyl]-3-(triazol-1-yl)propanamide (PubChem CID 63121181) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-[3-(2-aminoethoxy)phenyl]-3-(triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[3-(2-aminoethoxy)phenyl]-3-(triazol-1-yl)propanamide
PubChem CID63121181
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC NameN-[3-(2-aminoethoxy)phenyl]-3-(triazol-1-yl)propanamide
SMILESNCCOc1cccc(NC(=O)CCn2ccnn2)c1
InChIInChI=1S/C13H17N5O2/c14-5-9-20-12-3-1-2-11(10-12)16-13(19)4-7-18-8-6-15-17-18/h1-3,6,8,10H,4-5,7,9,14H2,(H,16,19)
InChIKeyKSMICIZZFANWBD-UHFFFAOYSA-N
XLogP0.64
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(2-aminoethoxy)phenyl]-2-(triazol-1-yl)acetamide
CID 81479348
N-[3-(aminomethyl)phenyl]-3-(triazol-1-yl)propanamide
CID 63254516
N-(3-iodophenyl)-3-(triazol-1-yl)propanamide
CID 60725374
N-(3-bromophenyl)-3-(triazol-1-yl)propanamide
CID 43111902
N-(3-amino-4-fluorophenyl)-3-(triazol-1-yl)propanamide
CID 63257477
N-[3-(2-aminoethoxy)phenyl]-3-pyridin-3-ylpropanamide
CID 81485538
N-(6-fluoro-3-pyridinyl)-3-(triazol-1-yl)propanamide
CID 103789698
N-[3-(2-aminoethoxy)phenyl]pyridazine-4-carboxamide
CID 104668880
N-[3-(2-aminoethoxy)phenyl]-2-methoxyacetamide
CID 61277360
3-amino-N-[3-(3-methylbutoxy)phenyl]propanamide
CID 39353480
2-hydroxy-4-[3-(triazol-1-yl)propanoylamino]benzoic acid
CID 28790453
N-(4-bromo-3-chlorophenyl)-3-(triazol-1-yl)propanamide
CID 103824710

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoethoxy)phenyl]-3-(triazol-1-yl)propanamide?
The IUPAC name of N-[3-(2-aminoethoxy)phenyl]-3-(triazol-1-yl)propanamide (CID 63121181) is N-[3-(2-aminoethoxy)phenyl]-3-(triazol-1-yl)propanamide.
What is the SMILES notation for N-[3-(2-aminoethoxy)phenyl]-3-(triazol-1-yl)propanamide?
The canonical SMILES for N-[3-(2-aminoethoxy)phenyl]-3-(triazol-1-yl)propanamide is NCCOc1cccc(NC(=O)CCn2ccnn2)c1.
What is the InChIKey of N-[3-(2-aminoethoxy)phenyl]-3-(triazol-1-yl)propanamide?
The InChIKey is KSMICIZZFANWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c14-5-9-20-12-3-1-2-11(10-12)16-13(19)4-7-18-8-6-15-17-18/h1-3,6,8,10H,4-5,7,9,14H2,(H,16,19).
What are the key properties of N-[3-(2-aminoethoxy)phenyl]-3-(triazol-1-yl)propanamide?
N-[3-(2-aminoethoxy)phenyl]-3-(triazol-1-yl)propanamide has a molecular weight of 275.31 g/mol, XLogP of 0.64, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminoethoxy)phenyl]-3-(triazol-1-yl)propanamide is sourced from PubChem (CID 63121181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).