2-amino-3-cyclohexyl-N-(1-methoxy-3-oxopropan-2-yl)-N-methylpropanamide

C14H26N2O3 — CID 175633002

IUPAC2-amino-3-cyclohexyl-N-(1-methoxy-3-oxopropan-2-yl)-N-methylpropanamide
SMILESCOCC(C=O)N(C)C(=O)C(N)CC1CCCCC1
InChIInChI=1S/C14H26N2O3/c1-16(12(9-17)10-19-2)14(18)13(15)8-11-6-4-3-5-7-11/h9,11-13H,3-8,10,15H2,1-2H3
InChIKeyNUSZFNDJERDXNK-UHFFFAOYSA-N
MW270.37 g/mol
LogP0.96
Rot. Bonds7

About 2-amino-3-cyclohexyl-N-(1-methoxy-3-oxopropan-2-yl)-N-methylpropanamide

2-amino-3-cyclohexyl-N-(1-methoxy-3-oxopropan-2-yl)-N-methylpropanamide (PubChem CID 175633002) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-amino-3-cyclohexyl-N-(1-methoxy-3-oxopropan-2-yl)-N-methylpropanamide.

Molecular Properties

Compound Name2-amino-3-cyclohexyl-N-(1-methoxy-3-oxopropan-2-yl)-N-methylpropanamide
PubChem CID175633002
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2-amino-3-cyclohexyl-N-(1-methoxy-3-oxopropan-2-yl)-N-methylpropanamide
SMILESCOCC(C=O)N(C)C(=O)C(N)CC1CCCCC1
InChIInChI=1S/C14H26N2O3/c1-16(12(9-17)10-19-2)14(18)13(15)8-11-6-4-3-5-7-11/h9,11-13H,3-8,10,15H2,1-2H3
InChIKeyNUSZFNDJERDXNK-UHFFFAOYSA-N
XLogP0.96
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-cyclohexyl-N-(1-methoxy-3-oxopropan-2-yl)-N-methylpropanamide?
The IUPAC name of 2-amino-3-cyclohexyl-N-(1-methoxy-3-oxopropan-2-yl)-N-methylpropanamide (CID 175633002) is 2-amino-3-cyclohexyl-N-(1-methoxy-3-oxopropan-2-yl)-N-methylpropanamide.
What is the SMILES notation for 2-amino-3-cyclohexyl-N-(1-methoxy-3-oxopropan-2-yl)-N-methylpropanamide?
The canonical SMILES for 2-amino-3-cyclohexyl-N-(1-methoxy-3-oxopropan-2-yl)-N-methylpropanamide is COCC(C=O)N(C)C(=O)C(N)CC1CCCCC1.
What is the InChIKey of 2-amino-3-cyclohexyl-N-(1-methoxy-3-oxopropan-2-yl)-N-methylpropanamide?
The InChIKey is NUSZFNDJERDXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-16(12(9-17)10-19-2)14(18)13(15)8-11-6-4-3-5-7-11/h9,11-13H,3-8,10,15H2,1-2H3.
What are the key properties of 2-amino-3-cyclohexyl-N-(1-methoxy-3-oxopropan-2-yl)-N-methylpropanamide?
2-amino-3-cyclohexyl-N-(1-methoxy-3-oxopropan-2-yl)-N-methylpropanamide has a molecular weight of 270.37 g/mol, XLogP of 0.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-cyclohexyl-N-(1-methoxy-3-oxopropan-2-yl)-N-methylpropanamide is sourced from PubChem (CID 175633002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).