N-(cyclopropylmethyl)-2-[(5-hydroxyimino-7,8-dihydro-6H-naphthalen-1-yl)oxy]acetamide

C16H20N2O3 — CID 77067617

IUPACN-(cyclopropylmethyl)-2-[(5-hydroxyimino-7,8-dihydro-6H-naphthalen-1-yl)oxy]acetamide
SMILESO=C(COc1cccc2c1CCCC2=NO)NCC1CC1
InChIInChI=1S/C16H20N2O3/c19-16(17-9-11-7-8-11)10-21-15-6-2-3-12-13(15)4-1-5-14(12)18-20/h2-3,6,11,20H,1,4-5,7-10H2,(H,17,19)
InChIKeyZPKXDGYHRWZCQB-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.11
Rot. Bonds5

About N-(cyclopropylmethyl)-2-[(5-hydroxyimino-7,8-dihydro-6H-naphthalen-1-yl)oxy]acetamide

N-(cyclopropylmethyl)-2-[(5-hydroxyimino-7,8-dihydro-6H-naphthalen-1-yl)oxy]acetamide (PubChem CID 77067617) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[(5-hydroxyimino-7,8-dihydro-6H-naphthalen-1-yl)oxy]acetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[(5-hydroxyimino-7,8-dihydro-6H-naphthalen-1-yl)oxy]acetamide
PubChem CID77067617
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC NameN-(cyclopropylmethyl)-2-[(5-hydroxyimino-7,8-dihydro-6H-naphthalen-1-yl)oxy]acetamide
SMILESO=C(COc1cccc2c1CCCC2=NO)NCC1CC1
InChIInChI=1S/C16H20N2O3/c19-16(17-9-11-7-8-11)10-21-15-6-2-3-12-13(15)4-1-5-14(12)18-20/h2-3,6,11,20H,1,4-5,7-10H2,(H,17,19)
InChIKeyZPKXDGYHRWZCQB-UHFFFAOYSA-N
XLogP2.11
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[(5-hydroxyimino-7,8-dihydro-6H-naphthalen-1-yl)oxy]acetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[(5-hydroxyimino-7,8-dihydro-6H-naphthalen-1-yl)oxy]acetamide (CID 77067617) is N-(cyclopropylmethyl)-2-[(5-hydroxyimino-7,8-dihydro-6H-naphthalen-1-yl)oxy]acetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[(5-hydroxyimino-7,8-dihydro-6H-naphthalen-1-yl)oxy]acetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[(5-hydroxyimino-7,8-dihydro-6H-naphthalen-1-yl)oxy]acetamide is O=C(COc1cccc2c1CCCC2=NO)NCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[(5-hydroxyimino-7,8-dihydro-6H-naphthalen-1-yl)oxy]acetamide?
The InChIKey is ZPKXDGYHRWZCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c19-16(17-9-11-7-8-11)10-21-15-6-2-3-12-13(15)4-1-5-14(12)18-20/h2-3,6,11,20H,1,4-5,7-10H2,(H,17,19).
What are the key properties of N-(cyclopropylmethyl)-2-[(5-hydroxyimino-7,8-dihydro-6H-naphthalen-1-yl)oxy]acetamide?
N-(cyclopropylmethyl)-2-[(5-hydroxyimino-7,8-dihydro-6H-naphthalen-1-yl)oxy]acetamide has a molecular weight of 288.35 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[(5-hydroxyimino-7,8-dihydro-6H-naphthalen-1-yl)oxy]acetamide is sourced from PubChem (CID 77067617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).