4-(dihydroxyamino)oxy-N-(2-hydroxy-3-naphthalen-1-yloxypropyl)-N-propan-2-ylbutanamide

C20H28N2O6 — CID 89013616

IUPAC4-(dihydroxyamino)oxy-N-(2-hydroxy-3-naphthalen-1-yloxypropyl)-N-propan-2-ylbutanamide
SMILESCC(C)N(CC(O)COc1cccc2ccccc12)C(=O)CCCON(O)O
InChIInChI=1S/C20H28N2O6/c1-15(2)21(20(24)11-6-12-28-22(25)26)13-17(23)14-27-19-10-5-8-16-7-3-4-9-18(16)19/h3-5,7-10,15,17,23,25-26H,6,11-14H2,1-2H3
InChIKeyAFLRKIDUDYJTIR-UHFFFAOYSA-N
MW392.45 g/mol
LogP2.61
Rot. Bonds11

About 4-(dihydroxyamino)oxy-N-(2-hydroxy-3-naphthalen-1-yloxypropyl)-N-propan-2-ylbutanamide

4-(dihydroxyamino)oxy-N-(2-hydroxy-3-naphthalen-1-yloxypropyl)-N-propan-2-ylbutanamide (PubChem CID 89013616) has the molecular formula C20H28N2O6 and a molecular weight of 392.45 g/mol. Its IUPAC name is 4-(dihydroxyamino)oxy-N-(2-hydroxy-3-naphthalen-1-yloxypropyl)-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name4-(dihydroxyamino)oxy-N-(2-hydroxy-3-naphthalen-1-yloxypropyl)-N-propan-2-ylbutanamide
PubChem CID89013616
Molecular FormulaC20H28N2O6
Molecular Weight392.45 g/mol
Exact Mass392.19
IUPAC Name4-(dihydroxyamino)oxy-N-(2-hydroxy-3-naphthalen-1-yloxypropyl)-N-propan-2-ylbutanamide
SMILESCC(C)N(CC(O)COc1cccc2ccccc12)C(=O)CCCON(O)O
InChIInChI=1S/C20H28N2O6/c1-15(2)21(20(24)11-6-12-28-22(25)26)13-17(23)14-27-19-10-5-8-16-7-3-4-9-18(16)19/h3-5,7-10,15,17,23,25-26H,6,11-14H2,1-2H3
InChIKeyAFLRKIDUDYJTIR-UHFFFAOYSA-N
XLogP2.61
TPSA102.70 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.45
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-[[(2-hydroxy-3-naphthalen-1-yloxypropyl)-propan-2-ylcarbamoyl]amino]propanoic acid
CID 122018992
9H-fluoren-9-ylmethyl N-(2-hydroxy-3-naphthalen-1-yloxypropyl)-N-propan-2-ylcarbamate
CID 18680042
1-[(2R)-2-hydroxy-3-naphthalen-1-yloxypropyl]-3-(2-phenylethyl)-1-propan-2-ylurea
CID 52521276
N-[(2S)-2-hydroxy-3-naphthalen-1-yloxypropyl]-3,5-dinitro-N-propan-2-ylbenzamide
CID 165341790
1-[2,2-diethoxyethyl(propan-2-yl)amino]-3-naphthalen-1-yloxypropan-2-ol
CID 21416658
1-[1,1,1,2,3,3,3-heptadeuteriopropan-2-yl-(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]-3-naphthalen-1-yloxypropan-2-ol
CID 162641225
N,N-dimethyl-4-naphthalen-1-yloxybutanamide
CID 60769263
2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)-propan-2-ylamino]acetonitrile
CID 110929469
(2S)-1-[2-methylsulfanylethyl(propan-2-yl)amino]-3-naphthalen-1-yloxypropan-2-ol
CID 54556253
1-naphthalen-1-yloxyundecan-2-ol
CID 2793899
N-[(2-hydroxyphenyl)methyl]-N-methyl-4-naphthalen-1-yloxybutanamide
CID 60518694
2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)-methylamino]acetonitrile
CID 110929665

Frequently Asked Questions

What is the IUPAC name of 4-(dihydroxyamino)oxy-N-(2-hydroxy-3-naphthalen-1-yloxypropyl)-N-propan-2-ylbutanamide?
The IUPAC name of 4-(dihydroxyamino)oxy-N-(2-hydroxy-3-naphthalen-1-yloxypropyl)-N-propan-2-ylbutanamide (CID 89013616) is 4-(dihydroxyamino)oxy-N-(2-hydroxy-3-naphthalen-1-yloxypropyl)-N-propan-2-ylbutanamide.
What is the SMILES notation for 4-(dihydroxyamino)oxy-N-(2-hydroxy-3-naphthalen-1-yloxypropyl)-N-propan-2-ylbutanamide?
The canonical SMILES for 4-(dihydroxyamino)oxy-N-(2-hydroxy-3-naphthalen-1-yloxypropyl)-N-propan-2-ylbutanamide is CC(C)N(CC(O)COc1cccc2ccccc12)C(=O)CCCON(O)O.
What is the InChIKey of 4-(dihydroxyamino)oxy-N-(2-hydroxy-3-naphthalen-1-yloxypropyl)-N-propan-2-ylbutanamide?
The InChIKey is AFLRKIDUDYJTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O6/c1-15(2)21(20(24)11-6-12-28-22(25)26)13-17(23)14-27-19-10-5-8-16-7-3-4-9-18(16)19/h3-5,7-10,15,17,23,25-26H,6,11-14H2,1-2H3.
What are the key properties of 4-(dihydroxyamino)oxy-N-(2-hydroxy-3-naphthalen-1-yloxypropyl)-N-propan-2-ylbutanamide?
4-(dihydroxyamino)oxy-N-(2-hydroxy-3-naphthalen-1-yloxypropyl)-N-propan-2-ylbutanamide has a molecular weight of 392.45 g/mol, XLogP of 2.61, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dihydroxyamino)oxy-N-(2-hydroxy-3-naphthalen-1-yloxypropyl)-N-propan-2-ylbutanamide is sourced from PubChem (CID 89013616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).