acetic acid;3-(2-aminoethoxy)-N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]benzamide

C20H29N5O4 — CID 154904698

IUPACacetic acid;3-(2-aminoethoxy)-N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]benzamide
SMILESCC(=O)O.CC(NC(=O)c1cccc(OCCN)c1)c1nncn1C1CCCC1
InChIInChI=1S/C18H25N5O2.C2H4O2/c1-13(17-22-20-12-23(17)15-6-2-3-7-15)21-18(24)14-5-4-8-16(11-14)25-10-9-19;1-2(3)4/h4-5,8,11-13,15H,2-3,6-7,9-10,19H2,1H3,(H,21,24);1H3,(H,3,4)
InChIKeyAQQCNPGDJBEOGO-UHFFFAOYSA-N
MW403.48 g/mol
LogP2.31
Rot. Bonds7

About acetic acid;3-(2-aminoethoxy)-N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]benzamide

acetic acid;3-(2-aminoethoxy)-N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]benzamide (PubChem CID 154904698) has the molecular formula C20H29N5O4 and a molecular weight of 403.48 g/mol. Its IUPAC name is acetic acid;3-(2-aminoethoxy)-N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Nameacetic acid;3-(2-aminoethoxy)-N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]benzamide
PubChem CID154904698
Molecular FormulaC20H29N5O4
Molecular Weight403.48 g/mol
Exact Mass403.22
IUPAC Nameacetic acid;3-(2-aminoethoxy)-N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]benzamide
SMILESCC(=O)O.CC(NC(=O)c1cccc(OCCN)c1)c1nncn1C1CCCC1
InChIInChI=1S/C18H25N5O2.C2H4O2/c1-13(17-22-20-12-23(17)15-6-2-3-7-15)21-18(24)14-5-4-8-16(11-14)25-10-9-19;1-2(3)4/h4-5,8,11-13,15H,2-3,6-7,9-10,19H2,1H3,(H,21,24);1H3,(H,3,4)
InChIKeyAQQCNPGDJBEOGO-UHFFFAOYSA-N
XLogP2.31
TPSA132.36 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze acetic acid;3-(2-aminoethoxy)-N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]benzamide with MolForge

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Related Compounds

N-[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-(1,2,4-triazol-4-yl)benzamide
CID 125166249
2-anilino-N-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-5-carboxamide
CID 125173992
N-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-5-ethylthiophene-3-carboxamide
CID 125174195
N-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2-methoxypyrimidine-5-carboxamide
CID 126426673
N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-4-oxo-4-phenylbutanamide
CID 118786649
1-benzyl-N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]pyrazole-4-carboxamide
CID 118777279
N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2-phenylsulfanylacetamide
CID 118773114
N-[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-methyl-3-phenylbutanamide
CID 125165723
3-(2-phenoxyethoxy)-N-(1-phenylethyl)benzamide
CID 4954951
N-(2-amino-1-cyclopentylethyl)-3-propoxybenzamide
CID 106737605
3-[[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]carbamoylamino]-N,4-dimethylbenzamide
CID 125158221
N-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-7-methyl-4-oxochromene-2-carboxamide
CID 124758168

Frequently Asked Questions

What is the IUPAC name of acetic acid;3-(2-aminoethoxy)-N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]benzamide?
The IUPAC name of acetic acid;3-(2-aminoethoxy)-N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]benzamide (CID 154904698) is acetic acid;3-(2-aminoethoxy)-N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]benzamide.
What is the SMILES notation for acetic acid;3-(2-aminoethoxy)-N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]benzamide?
The canonical SMILES for acetic acid;3-(2-aminoethoxy)-N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]benzamide is CC(=O)O.CC(NC(=O)c1cccc(OCCN)c1)c1nncn1C1CCCC1.
What is the InChIKey of acetic acid;3-(2-aminoethoxy)-N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]benzamide?
The InChIKey is AQQCNPGDJBEOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2.C2H4O2/c1-13(17-22-20-12-23(17)15-6-2-3-7-15)21-18(24)14-5-4-8-16(11-14)25-10-9-19;1-2(3)4/h4-5,8,11-13,15H,2-3,6-7,9-10,19H2,1H3,(H,21,24);1H3,(H,3,4).
What are the key properties of acetic acid;3-(2-aminoethoxy)-N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]benzamide?
acetic acid;3-(2-aminoethoxy)-N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]benzamide has a molecular weight of 403.48 g/mol, XLogP of 2.31, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;3-(2-aminoethoxy)-N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]benzamide is sourced from PubChem (CID 154904698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).