N-(1,1-dimethoxypropan-2-yl)-2-(2-methoxyethoxy)-N-(2-methylnaphthalen-1-yl)acetamide

C21H29NO5 — CID 13117088

IUPACN-(1,1-dimethoxypropan-2-yl)-2-(2-methoxyethoxy)-N-(2-methylnaphthalen-1-yl)acetamide
SMILESCOCCOCC(=O)N(c1c(C)ccc2ccccc12)C(C)C(OC)OC
InChIInChI=1S/C21H29NO5/c1-15-10-11-17-8-6-7-9-18(17)20(15)22(16(2)21(25-4)26-5)19(23)14-27-13-12-24-3/h6-11,16,21H,12-14H2,1-5H3
InChIKeyVZVRTCZLLCTZSM-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.15
Rot. Bonds10

About N-(1,1-dimethoxypropan-2-yl)-2-(2-methoxyethoxy)-N-(2-methylnaphthalen-1-yl)acetamide

N-(1,1-dimethoxypropan-2-yl)-2-(2-methoxyethoxy)-N-(2-methylnaphthalen-1-yl)acetamide (PubChem CID 13117088) has the molecular formula C21H29NO5 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-(1,1-dimethoxypropan-2-yl)-2-(2-methoxyethoxy)-N-(2-methylnaphthalen-1-yl)acetamide.

Molecular Properties

Compound NameN-(1,1-dimethoxypropan-2-yl)-2-(2-methoxyethoxy)-N-(2-methylnaphthalen-1-yl)acetamide
PubChem CID13117088
Molecular FormulaC21H29NO5
Molecular Weight375.47 g/mol
Exact Mass375.20
IUPAC NameN-(1,1-dimethoxypropan-2-yl)-2-(2-methoxyethoxy)-N-(2-methylnaphthalen-1-yl)acetamide
SMILESCOCCOCC(=O)N(c1c(C)ccc2ccccc12)C(C)C(OC)OC
InChIInChI=1S/C21H29NO5/c1-15-10-11-17-8-6-7-9-18(17)20(15)22(16(2)21(25-4)26-5)19(23)14-27-13-12-24-3/h6-11,16,21H,12-14H2,1-5H3
InChIKeyVZVRTCZLLCTZSM-UHFFFAOYSA-N
XLogP3.15
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dimethoxypropan-2-yl)-2-(2-methoxyethoxy)-N-(2-methylnaphthalen-1-yl)acetamide?
The IUPAC name of N-(1,1-dimethoxypropan-2-yl)-2-(2-methoxyethoxy)-N-(2-methylnaphthalen-1-yl)acetamide (CID 13117088) is N-(1,1-dimethoxypropan-2-yl)-2-(2-methoxyethoxy)-N-(2-methylnaphthalen-1-yl)acetamide.
What is the SMILES notation for N-(1,1-dimethoxypropan-2-yl)-2-(2-methoxyethoxy)-N-(2-methylnaphthalen-1-yl)acetamide?
The canonical SMILES for N-(1,1-dimethoxypropan-2-yl)-2-(2-methoxyethoxy)-N-(2-methylnaphthalen-1-yl)acetamide is COCCOCC(=O)N(c1c(C)ccc2ccccc12)C(C)C(OC)OC.
What is the InChIKey of N-(1,1-dimethoxypropan-2-yl)-2-(2-methoxyethoxy)-N-(2-methylnaphthalen-1-yl)acetamide?
The InChIKey is VZVRTCZLLCTZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO5/c1-15-10-11-17-8-6-7-9-18(17)20(15)22(16(2)21(25-4)26-5)19(23)14-27-13-12-24-3/h6-11,16,21H,12-14H2,1-5H3.
What are the key properties of N-(1,1-dimethoxypropan-2-yl)-2-(2-methoxyethoxy)-N-(2-methylnaphthalen-1-yl)acetamide?
N-(1,1-dimethoxypropan-2-yl)-2-(2-methoxyethoxy)-N-(2-methylnaphthalen-1-yl)acetamide has a molecular weight of 375.47 g/mol, XLogP of 3.15, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dimethoxypropan-2-yl)-2-(2-methoxyethoxy)-N-(2-methylnaphthalen-1-yl)acetamide is sourced from PubChem (CID 13117088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).