N-(2-cyanoethyl)-3-(ethylamino)-2-methyl-N-propan-2-ylpropanamide

C12H23N3O — CID 62851812

IUPACN-(2-cyanoethyl)-3-(ethylamino)-2-methyl-N-propan-2-ylpropanamide
SMILESCCNCC(C)C(=O)N(CCC#N)C(C)C
InChIInChI=1S/C12H23N3O/c1-5-14-9-11(4)12(16)15(10(2)3)8-6-7-13/h10-11,14H,5-6,8-9H2,1-4H3
InChIKeyKUYXZTPGMXHPCB-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.38
Rot. Bonds7

About N-(2-cyanoethyl)-3-(ethylamino)-2-methyl-N-propan-2-ylpropanamide

N-(2-cyanoethyl)-3-(ethylamino)-2-methyl-N-propan-2-ylpropanamide (PubChem CID 62851812) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is N-(2-cyanoethyl)-3-(ethylamino)-2-methyl-N-propan-2-ylpropanamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-3-(ethylamino)-2-methyl-N-propan-2-ylpropanamide
PubChem CID62851812
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC NameN-(2-cyanoethyl)-3-(ethylamino)-2-methyl-N-propan-2-ylpropanamide
SMILESCCNCC(C)C(=O)N(CCC#N)C(C)C
InChIInChI=1S/C12H23N3O/c1-5-14-9-11(4)12(16)15(10(2)3)8-6-7-13/h10-11,14H,5-6,8-9H2,1-4H3
InChIKeyKUYXZTPGMXHPCB-UHFFFAOYSA-N
XLogP1.38
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-cyanoethyl)-3-(ethylamino)-2-methyl-N-propan-2-ylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[2-cyanopropyl(methyl)amino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 51096892
N-[3-(1-cyanopropylamino)-3-oxopropyl]-2,2-dimethylpropanamide
CID 56823339
Propanamide, N-(3-(dimethylamino)propyl)-3-((3-(dimethylamino)propyl)amino)-2-methyl-
CID 91925
N,N'-Dimethylisopropylmalonamide
CID 132234
Trimethyl-[3-(2-methylpropanoylamino)propyl]azanium
CID 57941900
N-[3-(diethylamino)propyl]-2-methylpropanamide
CID 3748488
2-methyl-N-propan-2-ylpropanamide;N,N,2-trimethylpropanamide
CID 139213516
N-(2-methylpropyl)-3-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)propanamide
CID 54871723
3-(ethylamino)-2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide
CID 62853477
2-methyl-3-(methylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide
CID 79201667
3-[(2-cyano-3,3,3-trifluoropropyl)amino]-N-propylpropanamide
CID 103367195
3-[(2-cyano-3,3,3-trifluoropropyl)amino]-N-propan-2-ylpropanamide
CID 103367518

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-3-(ethylamino)-2-methyl-N-propan-2-ylpropanamide?
The IUPAC name of N-(2-cyanoethyl)-3-(ethylamino)-2-methyl-N-propan-2-ylpropanamide (CID 62851812) is N-(2-cyanoethyl)-3-(ethylamino)-2-methyl-N-propan-2-ylpropanamide.
What is the SMILES notation for N-(2-cyanoethyl)-3-(ethylamino)-2-methyl-N-propan-2-ylpropanamide?
The canonical SMILES for N-(2-cyanoethyl)-3-(ethylamino)-2-methyl-N-propan-2-ylpropanamide is CCNCC(C)C(=O)N(CCC#N)C(C)C.
What is the InChIKey of N-(2-cyanoethyl)-3-(ethylamino)-2-methyl-N-propan-2-ylpropanamide?
The InChIKey is KUYXZTPGMXHPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-5-14-9-11(4)12(16)15(10(2)3)8-6-7-13/h10-11,14H,5-6,8-9H2,1-4H3.
What are the key properties of N-(2-cyanoethyl)-3-(ethylamino)-2-methyl-N-propan-2-ylpropanamide?
N-(2-cyanoethyl)-3-(ethylamino)-2-methyl-N-propan-2-ylpropanamide has a molecular weight of 225.34 g/mol, XLogP of 1.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-3-(ethylamino)-2-methyl-N-propan-2-ylpropanamide is sourced from PubChem (CID 62851812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).