N-(3-methoxypropyl)-2,2-dimethylpropanamide

C9H19NO2 — CID 4152468

IUPACN-(3-methoxypropyl)-2,2-dimethylpropanamide
SMILESCOCCCNC(=O)C(C)(C)C
InChIInChI=1S/C9H19NO2/c1-9(2,3)8(11)10-6-5-7-12-4/h5-7H2,1-4H3,(H,10,11)
InChIKeyBAXTUMKGXCPEFP-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.19
Rot. Bonds4

About N-(3-methoxypropyl)-2,2-dimethylpropanamide

N-(3-methoxypropyl)-2,2-dimethylpropanamide (PubChem CID 4152468) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2,2-dimethylpropanamide
PubChem CID4152468
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC NameN-(3-methoxypropyl)-2,2-dimethylpropanamide
SMILESCOCCCNC(=O)C(C)(C)C
InChIInChI=1S/C9H19NO2/c1-9(2,3)8(11)10-6-5-7-12-4/h5-7H2,1-4H3,(H,10,11)
InChIKeyBAXTUMKGXCPEFP-UHFFFAOYSA-N
XLogP1.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-diiodo-N-(3-methoxypropyl)propanamide
CID 170194646
N-(3-methoxypropyl)-2,2-dimethylbutanamide
CID 4634900
N-(3-ethoxypropyl)-2,2-dimethylpropanamide
CID 60717995
2-(ethylamino)-N-(4-methoxybutyl)-2-methylpropanamide
CID 62834257
N-cyclopropyl-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide
CID 108957380
2,2-dimethyl-N-[3-[3-(propan-2-ylamino)propoxy]propyl]propanamide
CID 170038260
3-methoxypropylurea
CID 2064040
ethane;N-(3-hydroxypropyl)-2,2-dimethylpropanamide
CID 144592534
2-ethyl-N-(3-methoxypropyl)-2-methyloctanamide
CID 134590765
N-(3-methoxypropyl)-2-methyl-2-(4-methylphenyl)propanamide
CID 113198021
(2R)-2-amino-N-(3-methoxypropyl)-3,3-dimethylbutanamide
CID 82671375
2,2-dimethyl-N-tetradecylpropanamide
CID 11220230

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2,2-dimethylpropanamide?
The IUPAC name of N-(3-methoxypropyl)-2,2-dimethylpropanamide (CID 4152468) is N-(3-methoxypropyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(3-methoxypropyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(3-methoxypropyl)-2,2-dimethylpropanamide is COCCCNC(=O)C(C)(C)C.
What is the InChIKey of N-(3-methoxypropyl)-2,2-dimethylpropanamide?
The InChIKey is BAXTUMKGXCPEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-9(2,3)8(11)10-6-5-7-12-4/h5-7H2,1-4H3,(H,10,11).
What are the key properties of N-(3-methoxypropyl)-2,2-dimethylpropanamide?
N-(3-methoxypropyl)-2,2-dimethylpropanamide has a molecular weight of 173.26 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 4152468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).