N-(2-cyanoethyl)-N-(2-methylpropyl)-3-(oxolan-2-yl)propanamide

C14H24N2O2 — CID 62735321

IUPACN-(2-cyanoethyl)-N-(2-methylpropyl)-3-(oxolan-2-yl)propanamide
SMILESCC(C)CN(CCC#N)C(=O)CCC1CCCO1
InChIInChI=1S/C14H24N2O2/c1-12(2)11-16(9-4-8-15)14(17)7-6-13-5-3-10-18-13/h12-13H,3-7,9-11H2,1-2H3
InChIKeyYUHMVYXFUUEDNC-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.34
Rot. Bonds7

About N-(2-cyanoethyl)-N-(2-methylpropyl)-3-(oxolan-2-yl)propanamide

N-(2-cyanoethyl)-N-(2-methylpropyl)-3-(oxolan-2-yl)propanamide (PubChem CID 62735321) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-(2-methylpropyl)-3-(oxolan-2-yl)propanamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-(2-methylpropyl)-3-(oxolan-2-yl)propanamide
PubChem CID62735321
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC NameN-(2-cyanoethyl)-N-(2-methylpropyl)-3-(oxolan-2-yl)propanamide
SMILESCC(C)CN(CCC#N)C(=O)CCC1CCCO1
InChIInChI=1S/C14H24N2O2/c1-12(2)11-16(9-4-8-15)14(17)7-6-13-5-3-10-18-13/h12-13H,3-7,9-11H2,1-2H3
InChIKeyYUHMVYXFUUEDNC-UHFFFAOYSA-N
XLogP2.34
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(2-cyanoethyl)-N-(2-methylpropyl)-3-(oxolan-2-yl)propanamide 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-(2-cyanoethyl)-N-(2-methylpropyl)oxolane-2-carboxamide
CID 60654495
N-(2-cyanoethyl)-2-(oxolan-2-yl)-N-propan-2-ylacetamide
CID 62491240
3-[2-(oxolan-2-yl)ethyl-propan-2-ylamino]propanenitrile
CID 65160783
3-[(2S)-oxolan-2-yl]propanenitrile
CID 129367969
5-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)hexanamide
CID 82852097
N-(2-cyanoethyl)-N-(2-methylpropyl)-2-piperidin-3-ylacetamide
CID 62674909
N-(2-aminoethyl)-N-(2,2-difluoroethyl)-3-(oxan-2-yl)propanamide
CID 107493399
N-(2-cyanoethyl)-4-(methylamino)-N-(2-methylpropyl)butanamide
CID 60964117
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-3-(oxolan-2-yl)propanamide
CID 77057849
N-(2-hydroxyethyl)-N-methyl-3-(oxolan-2-yl)propanamide
CID 60749979
2-[carboxymethyl-[3-(oxan-2-yl)propanoyl]amino]acetic acid
CID 63951112
N-(1-chloropropan-2-yl)-N-methyl-3-(oxan-2-yl)propanamide
CID 104555648

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-(2-methylpropyl)-3-(oxolan-2-yl)propanamide?
The IUPAC name of N-(2-cyanoethyl)-N-(2-methylpropyl)-3-(oxolan-2-yl)propanamide (CID 62735321) is N-(2-cyanoethyl)-N-(2-methylpropyl)-3-(oxolan-2-yl)propanamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-(2-methylpropyl)-3-(oxolan-2-yl)propanamide?
The canonical SMILES for N-(2-cyanoethyl)-N-(2-methylpropyl)-3-(oxolan-2-yl)propanamide is CC(C)CN(CCC#N)C(=O)CCC1CCCO1.
What is the InChIKey of N-(2-cyanoethyl)-N-(2-methylpropyl)-3-(oxolan-2-yl)propanamide?
The InChIKey is YUHMVYXFUUEDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-12(2)11-16(9-4-8-15)14(17)7-6-13-5-3-10-18-13/h12-13H,3-7,9-11H2,1-2H3.
What are the key properties of N-(2-cyanoethyl)-N-(2-methylpropyl)-3-(oxolan-2-yl)propanamide?
N-(2-cyanoethyl)-N-(2-methylpropyl)-3-(oxolan-2-yl)propanamide has a molecular weight of 252.36 g/mol, XLogP of 2.34, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-(2-methylpropyl)-3-(oxolan-2-yl)propanamide is sourced from PubChem (CID 62735321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).