N-cyclopropyl-N,2,2-trimethylpropanamide;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;N-(2,2-dimethylpropyl)-N-ethylacetamide

C27H53N3O4 — CID 161376729

IUPACN-cyclopropyl-N,2,2-trimethylpropanamide;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;N-(2,2-dimethylpropyl)-N-ethylacetamide
SMILESCC(C)(C)C(=O)N1CCOCC1.CCN(CC(C)(C)C)C(C)=O.CN(C(=O)C(C)(C)C)C1CC1
InChIInChI=1S/C9H17NO2.C9H17NO.C9H19NO/c1-9(2,3)8(11)10-4-6-12-7-5-10;1-9(2,3)8(11)10(4)7-5-6-7;1-6-10(8(2)11)7-9(3,4)5/h4-7H2,1-3H3;7H,5-6H2,1-4H3;6-7H2,1-5H3
InChIKeyVREGCYPCRUUHCZ-UHFFFAOYSA-N
MW483.74 g/mol
LogP4.45
Rot. Bonds3

About N-cyclopropyl-N,2,2-trimethylpropanamide;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;N-(2,2-dimethylpropyl)-N-ethylacetamide

N-cyclopropyl-N,2,2-trimethylpropanamide;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;N-(2,2-dimethylpropyl)-N-ethylacetamide (PubChem CID 161376729) has the molecular formula C27H53N3O4 and a molecular weight of 483.74 g/mol. Its IUPAC name is N-cyclopropyl-N,2,2-trimethylpropanamide;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;N-(2,2-dimethylpropyl)-N-ethylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-N,2,2-trimethylpropanamide;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;N-(2,2-dimethylpropyl)-N-ethylacetamide
PubChem CID161376729
Molecular FormulaC27H53N3O4
Molecular Weight483.74 g/mol
Exact Mass483.40
IUPAC NameN-cyclopropyl-N,2,2-trimethylpropanamide;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;N-(2,2-dimethylpropyl)-N-ethylacetamide
SMILESCC(C)(C)C(=O)N1CCOCC1.CCN(CC(C)(C)C)C(C)=O.CN(C(=O)C(C)(C)C)C1CC1
InChIInChI=1S/C9H17NO2.C9H17NO.C9H19NO/c1-9(2,3)8(11)10-4-6-12-7-5-10;1-9(2,3)8(11)10(4)7-5-6-7;1-6-10(8(2)11)7-9(3,4)5/h4-7H2,1-3H3;7H,5-6H2,1-4H3;6-7H2,1-5H3
InChIKeyVREGCYPCRUUHCZ-UHFFFAOYSA-N
XLogP4.45
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.74
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,2,2-trimethyl-N-(1-propylpiperidin-4-yl)propanamide
CID 64590731
N-(3,3-dimethyl-4-morpholin-4-yl-4-oxobutyl)-N,2,2-trimethylpropanamide
CID 126763695
2-fluoro-N,2-dimethyl-N-(oxan-4-yl)propanamide
CID 130165390
2-amino-2-ethyl-N-methyl-N-(oxan-4-yl)butanamide
CID 79810217
N,N-bis(2,2-dimethyl-3-morpholin-4-ylpropyl)acetamide
CID 100937943
N-cyclopropyl-1-(2,2-dimethylpropanoyl)-N-(4-ethylcyclohexyl)piperidine-4-carboxamide
CID 52573306
N-[2-(dimethylamino)ethyl]-N-(3-morpholin-4-yl-3-oxopropyl)acetamide
CID 113117459
2,2-dimethyl-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)propanamide
CID 90607283
2-[[amino(morpholin-4-yl)methylidene]amino]-N-cyclohexyl-N-methylacetamide;hydroiodide
CID 119142484
methyl-[4-(4-morpholin-4-ylbutyl)cyclohexyl]carbamic acid
CID 22567619
1-cyclopropyl-1-methyl-2-(2-morpholin-4-yl-2-oxoethyl)guanidine;hydroiodide
CID 110031903
N-[1-(2,2-dimethylpropyl)piperidin-4-yl]-N-methylacetamide
CID 54290996

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N,2,2-trimethylpropanamide;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;N-(2,2-dimethylpropyl)-N-ethylacetamide?
The IUPAC name of N-cyclopropyl-N,2,2-trimethylpropanamide;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;N-(2,2-dimethylpropyl)-N-ethylacetamide (CID 161376729) is N-cyclopropyl-N,2,2-trimethylpropanamide;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;N-(2,2-dimethylpropyl)-N-ethylacetamide.
What is the SMILES notation for N-cyclopropyl-N,2,2-trimethylpropanamide;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;N-(2,2-dimethylpropyl)-N-ethylacetamide?
The canonical SMILES for N-cyclopropyl-N,2,2-trimethylpropanamide;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;N-(2,2-dimethylpropyl)-N-ethylacetamide is CC(C)(C)C(=O)N1CCOCC1.CCN(CC(C)(C)C)C(C)=O.CN(C(=O)C(C)(C)C)C1CC1.
What is the InChIKey of N-cyclopropyl-N,2,2-trimethylpropanamide;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;N-(2,2-dimethylpropyl)-N-ethylacetamide?
The InChIKey is VREGCYPCRUUHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2.C9H17NO.C9H19NO/c1-9(2,3)8(11)10-4-6-12-7-5-10;1-9(2,3)8(11)10(4)7-5-6-7;1-6-10(8(2)11)7-9(3,4)5/h4-7H2,1-3H3;7H,5-6H2,1-4H3;6-7H2,1-5H3.
What are the key properties of N-cyclopropyl-N,2,2-trimethylpropanamide;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;N-(2,2-dimethylpropyl)-N-ethylacetamide?
N-cyclopropyl-N,2,2-trimethylpropanamide;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;N-(2,2-dimethylpropyl)-N-ethylacetamide has a molecular weight of 483.74 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N,2,2-trimethylpropanamide;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;N-(2,2-dimethylpropyl)-N-ethylacetamide is sourced from PubChem (CID 161376729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).