N-(2-cyanoethyl)-N-methyl-3-[methyl(2-propan-2-yloxyethyl)amino]propanamide

C13H25N3O2 — CID 81056168

IUPACN-(2-cyanoethyl)-N-methyl-3-[methyl(2-propan-2-yloxyethyl)amino]propanamide
SMILESCC(C)OCCN(C)CCC(=O)N(C)CCC#N
InChIInChI=1S/C13H25N3O2/c1-12(2)18-11-10-15(3)9-6-13(17)16(4)8-5-7-14/h12H,5-6,8-11H2,1-4H3
InChIKeyDDNMUQSXKNHGRT-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.11
Rot. Bonds9

About N-(2-cyanoethyl)-N-methyl-3-[methyl(2-propan-2-yloxyethyl)amino]propanamide

N-(2-cyanoethyl)-N-methyl-3-[methyl(2-propan-2-yloxyethyl)amino]propanamide (PubChem CID 81056168) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-methyl-3-[methyl(2-propan-2-yloxyethyl)amino]propanamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-methyl-3-[methyl(2-propan-2-yloxyethyl)amino]propanamide
PubChem CID81056168
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC NameN-(2-cyanoethyl)-N-methyl-3-[methyl(2-propan-2-yloxyethyl)amino]propanamide
SMILESCC(C)OCCN(C)CCC(=O)N(C)CCC#N
InChIInChI=1S/C13H25N3O2/c1-12(2)18-11-10-15(3)9-6-13(17)16(4)8-5-7-14/h12H,5-6,8-11H2,1-4H3
InChIKeyDDNMUQSXKNHGRT-UHFFFAOYSA-N
XLogP1.11
TPSA56.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(2-cyanoethyl)-3-methoxy-N-methylpropanamide
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N-(2-cyanoethyl)-2-hydroxy-N-methylacetamide
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CID 112706646
N-methyl-6-propan-2-yloxy-N-(2-propan-2-yloxyethyl)hexanamide
CID 167520219
5-amino-N-(2-cyanoethyl)-N,4-dimethylpentanamide
CID 82017217
N-(2-cyanoethyl)-3-[2-cyanoethyl(cyclopropyl)amino]-N-methylpropanamide
CID 54996850
N-(2-cyanoethyl)-N-methyl-3-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanamide
CID 43374873
N-(2-cyanoethyl)-N-methyl-4-(propan-2-ylamino)butanamide
CID 60850594
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CID 107770644

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-methyl-3-[methyl(2-propan-2-yloxyethyl)amino]propanamide?
The IUPAC name of N-(2-cyanoethyl)-N-methyl-3-[methyl(2-propan-2-yloxyethyl)amino]propanamide (CID 81056168) is N-(2-cyanoethyl)-N-methyl-3-[methyl(2-propan-2-yloxyethyl)amino]propanamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-methyl-3-[methyl(2-propan-2-yloxyethyl)amino]propanamide?
The canonical SMILES for N-(2-cyanoethyl)-N-methyl-3-[methyl(2-propan-2-yloxyethyl)amino]propanamide is CC(C)OCCN(C)CCC(=O)N(C)CCC#N.
What is the InChIKey of N-(2-cyanoethyl)-N-methyl-3-[methyl(2-propan-2-yloxyethyl)amino]propanamide?
The InChIKey is DDNMUQSXKNHGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-12(2)18-11-10-15(3)9-6-13(17)16(4)8-5-7-14/h12H,5-6,8-11H2,1-4H3.
What are the key properties of N-(2-cyanoethyl)-N-methyl-3-[methyl(2-propan-2-yloxyethyl)amino]propanamide?
N-(2-cyanoethyl)-N-methyl-3-[methyl(2-propan-2-yloxyethyl)amino]propanamide has a molecular weight of 255.36 g/mol, XLogP of 1.11, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-methyl-3-[methyl(2-propan-2-yloxyethyl)amino]propanamide is sourced from PubChem (CID 81056168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).