3-(ethylamino)-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]butanamide

C15H30N2O2 — CID 65120418

IUPAC3-(ethylamino)-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]butanamide
SMILESCCNC(C)CC(=O)NCC1(O)CCC(C)(C)CC1
InChIInChI=1S/C15H30N2O2/c1-5-16-12(2)10-13(18)17-11-15(19)8-6-14(3,4)7-9-15/h12,16,19H,5-11H2,1-4H3,(H,17,18)
InChIKeyHRMNNPJEKANBDH-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.82
Rot. Bonds6

About 3-(ethylamino)-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]butanamide

3-(ethylamino)-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]butanamide (PubChem CID 65120418) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 3-(ethylamino)-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]butanamide.

Molecular Properties

Compound Name3-(ethylamino)-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]butanamide
PubChem CID65120418
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name3-(ethylamino)-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]butanamide
SMILESCCNC(C)CC(=O)NCC1(O)CCC(C)(C)CC1
InChIInChI=1S/C15H30N2O2/c1-5-16-12(2)10-13(18)17-11-15(19)8-6-14(3,4)7-9-15/h12,16,19H,5-11H2,1-4H3,(H,17,18)
InChIKeyHRMNNPJEKANBDH-UHFFFAOYSA-N
XLogP1.82
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(ethylamino)-N-[(3-hydroxyoxolan-3-yl)methyl]butanamide
CID 106101375
3-(ethylamino)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]butanamide
CID 103966735
3-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]-3-oxopropanoic acid
CID 65123311
2-ethoxy-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]acetamide
CID 65119187
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]hexanamide
CID 65118984
N-[(1-hydroxycyclopentyl)methyl]-3-methylpentanamide
CID 114875416
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-(propylamino)acetamide
CID 65120371
2-methylpropyl N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]carbamate
CID 65121479
3-ethyl-N-[(1-hydroxycyclobutyl)methyl]-4-methylpentanamide
CID 111539695
N-[4-[(1-hydroxycycloheptyl)methylamino]-4-oxobutan-2-yl]cyclopentanecarboxamide
CID 111428746
1-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-3-propylurea
CID 65121622
2-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]butanoic acid
CID 65121052

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]butanamide?
The IUPAC name of 3-(ethylamino)-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]butanamide (CID 65120418) is 3-(ethylamino)-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]butanamide.
What is the SMILES notation for 3-(ethylamino)-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]butanamide?
The canonical SMILES for 3-(ethylamino)-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]butanamide is CCNC(C)CC(=O)NCC1(O)CCC(C)(C)CC1.
What is the InChIKey of 3-(ethylamino)-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]butanamide?
The InChIKey is HRMNNPJEKANBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-5-16-12(2)10-13(18)17-11-15(19)8-6-14(3,4)7-9-15/h12,16,19H,5-11H2,1-4H3,(H,17,18).
What are the key properties of 3-(ethylamino)-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]butanamide?
3-(ethylamino)-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]butanamide has a molecular weight of 270.42 g/mol, XLogP of 1.82, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]butanamide is sourced from PubChem (CID 65120418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).