N-[4-(2-methylpropanoyl)cyclohexyl]-4-[3-(2-methylpropoxy)propoxy]butanamide;molecular hydrogen

C21H41NO4 — CID 167464298

IUPACN-[4-(2-methylpropanoyl)cyclohexyl]-4-[3-(2-methylpropoxy)propoxy]butanamide;molecular hydrogen
SMILESCC(C)COCCCOCCCC(=O)NC1CCC(C(=O)C(C)C)CC1.[H][H]
InChIInChI=1S/C21H39NO4.H2/c1-16(2)15-26-14-6-13-25-12-5-7-20(23)22-19-10-8-18(9-11-19)21(24)17(3)4;/h16-19H,5-15H2,1-4H3,(H,22,23);1H
InChIKeySKXAQZNCVNYNAL-UHFFFAOYSA-N
MW371.56 g/mol
LogP3.99
Rot. Bonds13

About N-[4-(2-methylpropanoyl)cyclohexyl]-4-[3-(2-methylpropoxy)propoxy]butanamide;molecular hydrogen

N-[4-(2-methylpropanoyl)cyclohexyl]-4-[3-(2-methylpropoxy)propoxy]butanamide;molecular hydrogen (PubChem CID 167464298) has the molecular formula C21H41NO4 and a molecular weight of 371.56 g/mol. Its IUPAC name is N-[4-(2-methylpropanoyl)cyclohexyl]-4-[3-(2-methylpropoxy)propoxy]butanamide;molecular hydrogen.

Molecular Properties

Compound NameN-[4-(2-methylpropanoyl)cyclohexyl]-4-[3-(2-methylpropoxy)propoxy]butanamide;molecular hydrogen
PubChem CID167464298
Molecular FormulaC21H41NO4
Molecular Weight371.56 g/mol
Exact Mass371.30
IUPAC NameN-[4-(2-methylpropanoyl)cyclohexyl]-4-[3-(2-methylpropoxy)propoxy]butanamide;molecular hydrogen
SMILESCC(C)COCCCOCCCC(=O)NC1CCC(C(=O)C(C)C)CC1.[H][H]
InChIInChI=1S/C21H39NO4.H2/c1-16(2)15-26-14-6-13-25-12-5-7-20(23)22-19-10-8-18(9-11-19)21(24)17(3)4;/h16-19H,5-15H2,1-4H3,(H,22,23);1H
InChIKeySKXAQZNCVNYNAL-UHFFFAOYSA-N
XLogP3.99
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.56
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethane;N-[4-(2-methylpropanoyl)cyclohexyl]-4-[[4-(propan-2-yloxymethyl)cyclohexyl]methoxy]butanamide;molecular hydrogen
CID 169158753
4-(4-acetamidocyclohexyl)oxy-N-[4-(2-methylpropanoyl)cyclohexyl]butanamide
CID 169158725
3-ethoxy-N-[2-[3-[[4-(2-methylpropanoyl)cyclohexyl]amino]-3-oxopropoxy]ethyl]propanamide;molecular hydrogen
CID 169159088
2-methyl-N-[2-[2-[3-[[4-(2-methylpropanoyl)cyclohexyl]amino]-3-oxopropoxy]ethoxy]ethyl]propanamide
CID 169158396
ethane;2-methyl-N-[2-[2-[3-[[4-(2-methylpropanoyl)cyclohexyl]amino]-3-oxopropoxy]ethoxy]ethyl]propanamide
CID 177357226
N-[2-[3-[[4-(2-methylpropanoyl)cyclohexyl]amino]-3-oxopropoxy]ethyl]butanamide
CID 169159425
N-[4-(2-methylpropanoyl)cyclohexyl]-3-(4-propan-2-yloxycyclohexyl)oxypropanamide
CID 169158788
3-[2-[(2-methoxyacetyl)amino]ethoxy]-N-[4-(2-methylpropanoyl)cyclohexyl]propanamide
CID 178082713
N-(4-acetylcyclohexyl)-4-cyclohexyloxybutanamide;molecular hydrogen;propan-2-ol
CID 178082793
4-[4-(2-methylpropanoylamino)cyclohexyl]oxy-N-(4-propanoylcyclohexyl)butanamide
CID 170195768
N-(4-acetylcyclohexyl)-4-(4-propan-2-yloxycyclohexyl)oxybutanamide;ethane;molecular hydrogen
CID 178082611
N-cyclopropyl-4-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]butanamide
CID 79394457

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylpropanoyl)cyclohexyl]-4-[3-(2-methylpropoxy)propoxy]butanamide;molecular hydrogen?
The IUPAC name of N-[4-(2-methylpropanoyl)cyclohexyl]-4-[3-(2-methylpropoxy)propoxy]butanamide;molecular hydrogen (CID 167464298) is N-[4-(2-methylpropanoyl)cyclohexyl]-4-[3-(2-methylpropoxy)propoxy]butanamide;molecular hydrogen.
What is the SMILES notation for N-[4-(2-methylpropanoyl)cyclohexyl]-4-[3-(2-methylpropoxy)propoxy]butanamide;molecular hydrogen?
The canonical SMILES for N-[4-(2-methylpropanoyl)cyclohexyl]-4-[3-(2-methylpropoxy)propoxy]butanamide;molecular hydrogen is CC(C)COCCCOCCCC(=O)NC1CCC(C(=O)C(C)C)CC1.[H][H].
What is the InChIKey of N-[4-(2-methylpropanoyl)cyclohexyl]-4-[3-(2-methylpropoxy)propoxy]butanamide;molecular hydrogen?
The InChIKey is SKXAQZNCVNYNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39NO4.H2/c1-16(2)15-26-14-6-13-25-12-5-7-20(23)22-19-10-8-18(9-11-19)21(24)17(3)4;/h16-19H,5-15H2,1-4H3,(H,22,23);1H.
What are the key properties of N-[4-(2-methylpropanoyl)cyclohexyl]-4-[3-(2-methylpropoxy)propoxy]butanamide;molecular hydrogen?
N-[4-(2-methylpropanoyl)cyclohexyl]-4-[3-(2-methylpropoxy)propoxy]butanamide;molecular hydrogen has a molecular weight of 371.56 g/mol, XLogP of 3.99, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylpropanoyl)cyclohexyl]-4-[3-(2-methylpropoxy)propoxy]butanamide;molecular hydrogen is sourced from PubChem (CID 167464298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).