3-[3-(dihydroxyamino)-1,2,4-triazol-1-yl]-N-(3-phenylmethoxyphenyl)propanamide

C18H19N5O4 — CID 134815924

IUPAC3-[3-(dihydroxyamino)-1,2,4-triazol-1-yl]-N-(3-phenylmethoxyphenyl)propanamide
SMILESO=C(CCn1cnc(N(O)O)n1)Nc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C18H19N5O4/c24-17(9-10-22-13-19-18(21-22)23(25)26)20-15-7-4-8-16(11-15)27-12-14-5-2-1-3-6-14/h1-8,11,13,25-26H,9-10,12H2,(H,20,24)
InChIKeyLMXOWAULZKNFQZ-UHFFFAOYSA-N
MW369.38 g/mol
LogP2.47
Rot. Bonds8

About 3-[3-(dihydroxyamino)-1,2,4-triazol-1-yl]-N-(3-phenylmethoxyphenyl)propanamide

3-[3-(dihydroxyamino)-1,2,4-triazol-1-yl]-N-(3-phenylmethoxyphenyl)propanamide (PubChem CID 134815924) has the molecular formula C18H19N5O4 and a molecular weight of 369.38 g/mol. Its IUPAC name is 3-[3-(dihydroxyamino)-1,2,4-triazol-1-yl]-N-(3-phenylmethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[3-(dihydroxyamino)-1,2,4-triazol-1-yl]-N-(3-phenylmethoxyphenyl)propanamide
PubChem CID134815924
Molecular FormulaC18H19N5O4
Molecular Weight369.38 g/mol
Exact Mass369.14
IUPAC Name3-[3-(dihydroxyamino)-1,2,4-triazol-1-yl]-N-(3-phenylmethoxyphenyl)propanamide
SMILESO=C(CCn1cnc(N(O)O)n1)Nc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C18H19N5O4/c24-17(9-10-22-13-19-18(21-22)23(25)26)20-15-7-4-8-16(11-15)27-12-14-5-2-1-3-6-14/h1-8,11,13,25-26H,9-10,12H2,(H,20,24)
InChIKeyLMXOWAULZKNFQZ-UHFFFAOYSA-N
XLogP2.47
TPSA112.74 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-(3-phenylmethoxyphenyl)butanamide
CID 17161005
N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-(4-methylpyrazol-1-yl)propanamide
CID 87040595
2-[benzyl(methyl)amino]-N-(3-phenylmethoxyphenyl)acetamide
CID 54808615
4-phenyl-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]butanamide
CID 55880866
N-[3-[[4-(hydroxymethyl)phenyl]methoxy]phenyl]benzamide
CID 110006010
N-(3-phenylmethoxyphenyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 17085964
4-(2-phenoxyethoxy)-N-(3-phenylmethoxyphenyl)benzamide
CID 17086099
N-[3-(pentanoylamino)phenyl]-4-(phenoxymethyl)benzamide
CID 2187605
N-[3-[(4-fluorophenyl)methoxy]phenyl]-2-(3-nitro-1,2,4-triazol-1-yl)acetamide
CID 51119178
3-methoxy-N-(3-phenylmethoxyphenyl)benzamide
CID 135564193
4-chloro-N-[3-(2-phenylethoxy)phenyl]butanamide
CID 17161027
2-nitro-N-(3-phenylmethoxyphenyl)benzamide
CID 17085980

Frequently Asked Questions

What is the IUPAC name of 3-[3-(dihydroxyamino)-1,2,4-triazol-1-yl]-N-(3-phenylmethoxyphenyl)propanamide?
The IUPAC name of 3-[3-(dihydroxyamino)-1,2,4-triazol-1-yl]-N-(3-phenylmethoxyphenyl)propanamide (CID 134815924) is 3-[3-(dihydroxyamino)-1,2,4-triazol-1-yl]-N-(3-phenylmethoxyphenyl)propanamide.
What is the SMILES notation for 3-[3-(dihydroxyamino)-1,2,4-triazol-1-yl]-N-(3-phenylmethoxyphenyl)propanamide?
The canonical SMILES for 3-[3-(dihydroxyamino)-1,2,4-triazol-1-yl]-N-(3-phenylmethoxyphenyl)propanamide is O=C(CCn1cnc(N(O)O)n1)Nc1cccc(OCc2ccccc2)c1.
What is the InChIKey of 3-[3-(dihydroxyamino)-1,2,4-triazol-1-yl]-N-(3-phenylmethoxyphenyl)propanamide?
The InChIKey is LMXOWAULZKNFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O4/c24-17(9-10-22-13-19-18(21-22)23(25)26)20-15-7-4-8-16(11-15)27-12-14-5-2-1-3-6-14/h1-8,11,13,25-26H,9-10,12H2,(H,20,24).
What are the key properties of 3-[3-(dihydroxyamino)-1,2,4-triazol-1-yl]-N-(3-phenylmethoxyphenyl)propanamide?
3-[3-(dihydroxyamino)-1,2,4-triazol-1-yl]-N-(3-phenylmethoxyphenyl)propanamide has a molecular weight of 369.38 g/mol, XLogP of 2.47, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dihydroxyamino)-1,2,4-triazol-1-yl]-N-(3-phenylmethoxyphenyl)propanamide is sourced from PubChem (CID 134815924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).