3-[[(1S)-1-cyclohexyl-2-methylpropyl]amino]-N,N-diethylpropanamide

C17H34N2O — CID 97258642

IUPAC3-[[(1S)-1-cyclohexyl-2-methylpropyl]amino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCN[C@@H](C(C)C)C1CCCCC1
InChIInChI=1S/C17H34N2O/c1-5-19(6-2)16(20)12-13-18-17(14(3)4)15-10-8-7-9-11-15/h14-15,17-18H,5-13H2,1-4H3/t17-/m0/s1
InChIKeyZNWOFBNJDCKPOX-KRWDZBQOSA-N
MW282.47 g/mol
LogP3.44
Rot. Bonds8

About 3-[[(1S)-1-cyclohexyl-2-methylpropyl]amino]-N,N-diethylpropanamide

3-[[(1S)-1-cyclohexyl-2-methylpropyl]amino]-N,N-diethylpropanamide (PubChem CID 97258642) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 3-[[(1S)-1-cyclohexyl-2-methylpropyl]amino]-N,N-diethylpropanamide.

Molecular Properties

Compound Name3-[[(1S)-1-cyclohexyl-2-methylpropyl]amino]-N,N-diethylpropanamide
PubChem CID97258642
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name3-[[(1S)-1-cyclohexyl-2-methylpropyl]amino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCN[C@@H](C(C)C)C1CCCCC1
InChIInChI=1S/C17H34N2O/c1-5-19(6-2)16(20)12-13-18-17(14(3)4)15-10-8-7-9-11-15/h14-15,17-18H,5-13H2,1-4H3/t17-/m0/s1
InChIKeyZNWOFBNJDCKPOX-KRWDZBQOSA-N
XLogP3.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[[(1S)-1-cyclohexyl-2-methylpropyl]amino]-N,N-diethylpropanamide?
The IUPAC name of 3-[[(1S)-1-cyclohexyl-2-methylpropyl]amino]-N,N-diethylpropanamide (CID 97258642) is 3-[[(1S)-1-cyclohexyl-2-methylpropyl]amino]-N,N-diethylpropanamide.
What is the SMILES notation for 3-[[(1S)-1-cyclohexyl-2-methylpropyl]amino]-N,N-diethylpropanamide?
The canonical SMILES for 3-[[(1S)-1-cyclohexyl-2-methylpropyl]amino]-N,N-diethylpropanamide is CCN(CC)C(=O)CCN[C@@H](C(C)C)C1CCCCC1.
What is the InChIKey of 3-[[(1S)-1-cyclohexyl-2-methylpropyl]amino]-N,N-diethylpropanamide?
The InChIKey is ZNWOFBNJDCKPOX-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H34N2O/c1-5-19(6-2)16(20)12-13-18-17(14(3)4)15-10-8-7-9-11-15/h14-15,17-18H,5-13H2,1-4H3/t17-/m0/s1.
What are the key properties of 3-[[(1S)-1-cyclohexyl-2-methylpropyl]amino]-N,N-diethylpropanamide?
3-[[(1S)-1-cyclohexyl-2-methylpropyl]amino]-N,N-diethylpropanamide has a molecular weight of 282.47 g/mol, XLogP of 3.44, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1S)-1-cyclohexyl-2-methylpropyl]amino]-N,N-diethylpropanamide is sourced from PubChem (CID 97258642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).