N,N-diethylacetamide;N,N-dimethylbutanamide;3-methoxy-N,N-dimethylpropanamide

C18H39N3O4 — CID 160545882

IUPACN,N-diethylacetamide;N,N-dimethylbutanamide;3-methoxy-N,N-dimethylpropanamide
SMILESCCCC(=O)N(C)C.CCN(CC)C(C)=O.COCCC(=O)N(C)C
InChIInChI=1S/C6H13NO2.2C6H13NO/c1-7(2)6(8)4-5-9-3;1-4-5-6(8)7(2)3;1-4-7(5-2)6(3)8/h4-5H2,1-3H3;2*4-5H2,1-3H3
InChIKeyQXKQBNUGYGIIHJ-UHFFFAOYSA-N
MW361.53 g/mol
LogP1.86
Rot. Bonds7

About N,N-diethylacetamide;N,N-dimethylbutanamide;3-methoxy-N,N-dimethylpropanamide

N,N-diethylacetamide;N,N-dimethylbutanamide;3-methoxy-N,N-dimethylpropanamide (PubChem CID 160545882) has the molecular formula C18H39N3O4 and a molecular weight of 361.53 g/mol. Its IUPAC name is N,N-diethylacetamide;N,N-dimethylbutanamide;3-methoxy-N,N-dimethylpropanamide.

Molecular Properties

Compound NameN,N-diethylacetamide;N,N-dimethylbutanamide;3-methoxy-N,N-dimethylpropanamide
PubChem CID160545882
Molecular FormulaC18H39N3O4
Molecular Weight361.53 g/mol
Exact Mass361.29
IUPAC NameN,N-diethylacetamide;N,N-dimethylbutanamide;3-methoxy-N,N-dimethylpropanamide
SMILESCCCC(=O)N(C)C.CCN(CC)C(C)=O.COCCC(=O)N(C)C
InChIInChI=1S/C6H13NO2.2C6H13NO/c1-7(2)6(8)4-5-9-3;1-4-5-6(8)7(2)3;1-4-7(5-2)6(3)8/h4-5H2,1-3H3;2*4-5H2,1-3H3
InChIKeyQXKQBNUGYGIIHJ-UHFFFAOYSA-N
XLogP1.86
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.53
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethylacetamide;N,N-dimethylbutanamide;N,N-dimethylpropanamide
CID 157213260
3-methoxy-N,N-dimethylpropanamide
CID 159478663
3-butoxy-N,N-dimethylpropanamide;3-methoxy-N,N-dimethylpropanamide
CID 141458250
N,N-dimethylbutanamide;hydrochloride
CID 87498306
3-[acetyl(3-methoxypropyl)amino]-N,N-diethylpropanamide
CID 113117131
N,N-bis(methoxymethyl)butanamide
CID 59789167
N,N-diethylbutanamide;N,N-dimethylpropanamide;N-ethyl-N-methylpropanamide
CID 18387019
N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-3-methoxypropanamide
CID 62588562
N-(2-cyanoethyl)-N-ethyl-3-methoxypropanamide
CID 62589868
acetic acid;N,N-diethylacetamide
CID 174447974
1-ethyl-1-(2-methoxyethyl)-3,3-dimethylurea
CID 115590966
N-acetyl-N-methylbutanamide
CID 142271883

Frequently Asked Questions

What is the IUPAC name of N,N-diethylacetamide;N,N-dimethylbutanamide;3-methoxy-N,N-dimethylpropanamide?
The IUPAC name of N,N-diethylacetamide;N,N-dimethylbutanamide;3-methoxy-N,N-dimethylpropanamide (CID 160545882) is N,N-diethylacetamide;N,N-dimethylbutanamide;3-methoxy-N,N-dimethylpropanamide.
What is the SMILES notation for N,N-diethylacetamide;N,N-dimethylbutanamide;3-methoxy-N,N-dimethylpropanamide?
The canonical SMILES for N,N-diethylacetamide;N,N-dimethylbutanamide;3-methoxy-N,N-dimethylpropanamide is CCCC(=O)N(C)C.CCN(CC)C(C)=O.COCCC(=O)N(C)C.
What is the InChIKey of N,N-diethylacetamide;N,N-dimethylbutanamide;3-methoxy-N,N-dimethylpropanamide?
The InChIKey is QXKQBNUGYGIIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2.2C6H13NO/c1-7(2)6(8)4-5-9-3;1-4-5-6(8)7(2)3;1-4-7(5-2)6(3)8/h4-5H2,1-3H3;2*4-5H2,1-3H3.
What are the key properties of N,N-diethylacetamide;N,N-dimethylbutanamide;3-methoxy-N,N-dimethylpropanamide?
N,N-diethylacetamide;N,N-dimethylbutanamide;3-methoxy-N,N-dimethylpropanamide has a molecular weight of 361.53 g/mol, XLogP of 1.86, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylacetamide;N,N-dimethylbutanamide;3-methoxy-N,N-dimethylpropanamide is sourced from PubChem (CID 160545882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).