N-ethyl-3-[(4-hydroxycyclohexyl)methylamino]propanamide

C12H24N2O2 — CID 106133439

IUPACN-ethyl-3-[(4-hydroxycyclohexyl)methylamino]propanamide
SMILESCCNC(=O)CCNCC1CCC(O)CC1
InChIInChI=1S/C12H24N2O2/c1-2-14-12(16)7-8-13-9-10-3-5-11(15)6-4-10/h10-11,13,15H,2-9H2,1H3,(H,14,16)
InChIKeyVPMXAWZFQDTOHD-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.65
Rot. Bonds6

About N-ethyl-3-[(4-hydroxycyclohexyl)methylamino]propanamide

N-ethyl-3-[(4-hydroxycyclohexyl)methylamino]propanamide (PubChem CID 106133439) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-ethyl-3-[(4-hydroxycyclohexyl)methylamino]propanamide.

Molecular Properties

Compound NameN-ethyl-3-[(4-hydroxycyclohexyl)methylamino]propanamide
PubChem CID106133439
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-ethyl-3-[(4-hydroxycyclohexyl)methylamino]propanamide
SMILESCCNC(=O)CCNCC1CCC(O)CC1
InChIInChI=1S/C12H24N2O2/c1-2-14-12(16)7-8-13-9-10-3-5-11(15)6-4-10/h10-11,13,15H,2-9H2,1H3,(H,14,16)
InChIKeyVPMXAWZFQDTOHD-UHFFFAOYSA-N
XLogP0.65
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(cyclopropylmethylamino)-N-ethylpropanamide
CID 62324185
N-ethyl-3-[(3-hydroxycyclobutyl)methylamino]propanamide
CID 66005260
3-(tert-butylamino)-N-[(4-hydroxycyclohexyl)methyl]propanamide
CID 106135794
3-[[2-(4-aminocyclohexyl)acetyl]amino]-N-ethylpropanamide
CID 113411080
3-(2-cyclohexylethylamino)-N-ethylpropanamide
CID 62324401
2-[(4-hydroxycyclohexyl)methylamino]-N-propylacetamide
CID 106133332
3-(ethylamino)-N-[(3-hydroxycyclobutyl)methyl]propanamide
CID 66005719
N-[(4-hydroxycyclohexyl)methyl]-3-sulfanylpropanamide
CID 106137800
3-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N-ethylpropanamide
CID 62325687
3-[(1-methylpiperidin-4-yl)methylamino]-N-propylpropanamide
CID 62659463
4-hydroxy-N-[(4-hydroxycyclohexyl)methyl]butanamide
CID 106137727
3-(ethylamino)-N-[(1-ethylpiperidin-4-yl)methyl]propanamide
CID 55121687

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[(4-hydroxycyclohexyl)methylamino]propanamide?
The IUPAC name of N-ethyl-3-[(4-hydroxycyclohexyl)methylamino]propanamide (CID 106133439) is N-ethyl-3-[(4-hydroxycyclohexyl)methylamino]propanamide.
What is the SMILES notation for N-ethyl-3-[(4-hydroxycyclohexyl)methylamino]propanamide?
The canonical SMILES for N-ethyl-3-[(4-hydroxycyclohexyl)methylamino]propanamide is CCNC(=O)CCNCC1CCC(O)CC1.
What is the InChIKey of N-ethyl-3-[(4-hydroxycyclohexyl)methylamino]propanamide?
The InChIKey is VPMXAWZFQDTOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-2-14-12(16)7-8-13-9-10-3-5-11(15)6-4-10/h10-11,13,15H,2-9H2,1H3,(H,14,16).
What are the key properties of N-ethyl-3-[(4-hydroxycyclohexyl)methylamino]propanamide?
N-ethyl-3-[(4-hydroxycyclohexyl)methylamino]propanamide has a molecular weight of 228.34 g/mol, XLogP of 0.65, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[(4-hydroxycyclohexyl)methylamino]propanamide is sourced from PubChem (CID 106133439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).