2-(cyclopropylamino)-4-(4,4-dimethylcyclohexyl)oxybutanamide

C15H28N2O2 — CID 114342017

IUPAC2-(cyclopropylamino)-4-(4,4-dimethylcyclohexyl)oxybutanamide
SMILESCC1(C)CCC(OCCC(NC2CC2)C(N)=O)CC1
InChIInChI=1S/C15H28N2O2/c1-15(2)8-5-12(6-9-15)19-10-7-13(14(16)18)17-11-3-4-11/h11-13,17H,3-10H2,1-2H3,(H2,16,18)
InChIKeyGNDNEMWNJCIKQY-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.97
Rot. Bonds7

About 2-(cyclopropylamino)-4-(4,4-dimethylcyclohexyl)oxybutanamide

2-(cyclopropylamino)-4-(4,4-dimethylcyclohexyl)oxybutanamide (PubChem CID 114342017) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-(4,4-dimethylcyclohexyl)oxybutanamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-(4,4-dimethylcyclohexyl)oxybutanamide
PubChem CID114342017
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name2-(cyclopropylamino)-4-(4,4-dimethylcyclohexyl)oxybutanamide
SMILESCC1(C)CCC(OCCC(NC2CC2)C(N)=O)CC1
InChIInChI=1S/C15H28N2O2/c1-15(2)8-5-12(6-9-15)19-10-7-13(14(16)18)17-11-3-4-11/h11-13,17H,3-10H2,1-2H3,(H2,16,18)
InChIKeyGNDNEMWNJCIKQY-UHFFFAOYSA-N
XLogP1.97
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylamino)-4-(4-methylcyclohexyl)oxybutanamide
CID 63040789
methyl 4-cyclopentyloxy-2-(cyclopropylamino)butanoate
CID 63041385
methyl 4-(4,4-dimethylcyclohexyl)oxy-2-(propan-2-ylamino)butanoate
CID 114342050
2-(cyclopropylamino)-4-(2-ethylcyclohexyl)oxybutanamide
CID 55145305
2-(cyclopropylamino)-4-(2,2,2-trifluoroethoxy)butanamide
CID 63040262
2-(cyclopropylamino)-4-(cyclopropylmethoxy)butanamide
CID 63040627
2-(cyclopropylamino)-5-(methylamino)hexanediamide
CID 66221949
ethyl 2-(cyclopropylamino)-4-(oxan-4-yloxy)butanoate
CID 55144526
2-(cyclopropylamino)-4-(2,2,3,3-tetrafluoropropoxy)butanamide
CID 55143380
4-cycloheptyloxy-2-(ethylamino)butanamide
CID 63040361
4-(cyclohexylmethoxy)-2-(cyclopropylamino)butanamide
CID 63035322
4-cyclobutyloxy-2-(propylamino)butanamide
CID 63035850

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-(4,4-dimethylcyclohexyl)oxybutanamide?
The IUPAC name of 2-(cyclopropylamino)-4-(4,4-dimethylcyclohexyl)oxybutanamide (CID 114342017) is 2-(cyclopropylamino)-4-(4,4-dimethylcyclohexyl)oxybutanamide.
What is the SMILES notation for 2-(cyclopropylamino)-4-(4,4-dimethylcyclohexyl)oxybutanamide?
The canonical SMILES for 2-(cyclopropylamino)-4-(4,4-dimethylcyclohexyl)oxybutanamide is CC1(C)CCC(OCCC(NC2CC2)C(N)=O)CC1.
What is the InChIKey of 2-(cyclopropylamino)-4-(4,4-dimethylcyclohexyl)oxybutanamide?
The InChIKey is GNDNEMWNJCIKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-15(2)8-5-12(6-9-15)19-10-7-13(14(16)18)17-11-3-4-11/h11-13,17H,3-10H2,1-2H3,(H2,16,18).
What are the key properties of 2-(cyclopropylamino)-4-(4,4-dimethylcyclohexyl)oxybutanamide?
2-(cyclopropylamino)-4-(4,4-dimethylcyclohexyl)oxybutanamide has a molecular weight of 268.40 g/mol, XLogP of 1.97, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-(4,4-dimethylcyclohexyl)oxybutanamide is sourced from PubChem (CID 114342017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).