2-cyano-N-(2-methoxyethyl)-N-(3-methoxypropyl)-2-methylpropanamide

C12H22N2O3 — CID 61217362

IUPAC2-cyano-N-(2-methoxyethyl)-N-(3-methoxypropyl)-2-methylpropanamide
SMILESCOCCCN(CCOC)C(=O)C(C)(C)C#N
InChIInChI=1S/C12H22N2O3/c1-12(2,10-13)11(15)14(7-9-17-4)6-5-8-16-3/h5-9H2,1-4H3
InChIKeyBCHJDDINOMGOMJ-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.05
Rot. Bonds8

About 2-cyano-N-(2-methoxyethyl)-N-(3-methoxypropyl)-2-methylpropanamide

2-cyano-N-(2-methoxyethyl)-N-(3-methoxypropyl)-2-methylpropanamide (PubChem CID 61217362) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-cyano-N-(2-methoxyethyl)-N-(3-methoxypropyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-cyano-N-(2-methoxyethyl)-N-(3-methoxypropyl)-2-methylpropanamide
PubChem CID61217362
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-cyano-N-(2-methoxyethyl)-N-(3-methoxypropyl)-2-methylpropanamide
SMILESCOCCCN(CCOC)C(=O)C(C)(C)C#N
InChIInChI=1S/C12H22N2O3/c1-12(2,10-13)11(15)14(7-9-17-4)6-5-8-16-3/h5-9H2,1-4H3
InChIKeyBCHJDDINOMGOMJ-UHFFFAOYSA-N
XLogP1.05
TPSA62.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-2-methylbutanamide
CID 114290515
methyl 2-[(2-cyano-2-methylpropanoyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 55151953
2-bromo-N-(2-methoxyethyl)-N-(3-methoxypropyl)acetamide
CID 63678594
2-amino-3,3,3-trifluoro-N,N-bis(2-methoxyethyl)-2-methylpropanamide
CID 79796803
2-[ethyl-[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]-2-methylpropanoic acid
CID 62820097
2-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)acetamide
CID 60981148
3-amino-N,N-bis(2-methoxyethyl)-2,2,3-trimethylbutanamide
CID 65264293
3-amino-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)-2,2-dimethylpropanamide
CID 113307599
N-(2-methoxyethyl)-N-(3-methoxypropyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78957904
2-bromo-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-methylpropanamide
CID 114329141
3-[2-methoxyethyl(3-methoxypropyl)amino]-2-methyl-3-oxopropanoic acid
CID 114896858
N-(2-cyanoethyl)-N-(2-methoxyethyl)-4,4-dimethylpentanamide
CID 113239763

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2-methoxyethyl)-N-(3-methoxypropyl)-2-methylpropanamide?
The IUPAC name of 2-cyano-N-(2-methoxyethyl)-N-(3-methoxypropyl)-2-methylpropanamide (CID 61217362) is 2-cyano-N-(2-methoxyethyl)-N-(3-methoxypropyl)-2-methylpropanamide.
What is the SMILES notation for 2-cyano-N-(2-methoxyethyl)-N-(3-methoxypropyl)-2-methylpropanamide?
The canonical SMILES for 2-cyano-N-(2-methoxyethyl)-N-(3-methoxypropyl)-2-methylpropanamide is COCCCN(CCOC)C(=O)C(C)(C)C#N.
What is the InChIKey of 2-cyano-N-(2-methoxyethyl)-N-(3-methoxypropyl)-2-methylpropanamide?
The InChIKey is BCHJDDINOMGOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-12(2,10-13)11(15)14(7-9-17-4)6-5-8-16-3/h5-9H2,1-4H3.
What are the key properties of 2-cyano-N-(2-methoxyethyl)-N-(3-methoxypropyl)-2-methylpropanamide?
2-cyano-N-(2-methoxyethyl)-N-(3-methoxypropyl)-2-methylpropanamide has a molecular weight of 242.32 g/mol, XLogP of 1.05, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2-methoxyethyl)-N-(3-methoxypropyl)-2-methylpropanamide is sourced from PubChem (CID 61217362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).