1-cyclohexyl-2-methylpropan-1-one;molecular hydrogen;3-[2-(2-propan-2-yloxyethoxy)ethoxy]propanamide

C20H41NO5 — CID 169159187

IUPAC1-cyclohexyl-2-methylpropan-1-one;molecular hydrogen;3-[2-(2-propan-2-yloxyethoxy)ethoxy]propanamide
SMILESCC(C)C(=O)C1CCCCC1.CC(C)OCCOCCOCCC(N)=O.[H][H]
InChIInChI=1S/C10H21NO4.C10H18O.H2/c1-9(2)15-8-7-14-6-5-13-4-3-10(11)12;1-8(2)10(11)9-6-4-3-5-7-9;/h9H,3-8H2,1-2H3,(H2,11,12);8-9H,3-7H2,1-2H3;1H
InChIKeyANZHJBQDQSWXAL-UHFFFAOYSA-N
MW375.55 g/mol
LogP3.36
Rot. Bonds12

About 1-cyclohexyl-2-methylpropan-1-one;molecular hydrogen;3-[2-(2-propan-2-yloxyethoxy)ethoxy]propanamide

1-cyclohexyl-2-methylpropan-1-one;molecular hydrogen;3-[2-(2-propan-2-yloxyethoxy)ethoxy]propanamide (PubChem CID 169159187) has the molecular formula C20H41NO5 and a molecular weight of 375.55 g/mol. Its IUPAC name is 1-cyclohexyl-2-methylpropan-1-one;molecular hydrogen;3-[2-(2-propan-2-yloxyethoxy)ethoxy]propanamide.

Molecular Properties

Compound Name1-cyclohexyl-2-methylpropan-1-one;molecular hydrogen;3-[2-(2-propan-2-yloxyethoxy)ethoxy]propanamide
PubChem CID169159187
Molecular FormulaC20H41NO5
Molecular Weight375.55 g/mol
Exact Mass375.30
IUPAC Name1-cyclohexyl-2-methylpropan-1-one;molecular hydrogen;3-[2-(2-propan-2-yloxyethoxy)ethoxy]propanamide
SMILESCC(C)C(=O)C1CCCCC1.CC(C)OCCOCCOCCC(N)=O.[H][H]
InChIInChI=1S/C10H21NO4.C10H18O.H2/c1-9(2)15-8-7-14-6-5-13-4-3-10(11)12;1-8(2)10(11)9-6-4-3-5-7-9;/h9H,3-8H2,1-2H3,(H2,11,12);8-9H,3-7H2,1-2H3;1H
InChIKeyANZHJBQDQSWXAL-UHFFFAOYSA-N
XLogP3.36
TPSA87.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.55
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-cyclohexyl-2-methylpropan-1-one;4-[[4-(propan-2-yloxymethyl)cyclohexyl]methoxy]butanamide
CID 169158808
1-cyclobutyl-2-methylpropan-1-one;ethane;3-[[4-(methoxymethyl)cyclohexyl]methoxy]propanamide;molecular hydrogen
CID 169158645
1-cyclohexyl-2-methylpropan-1-one;4-cyclohexyloxybutanamide;ethanol;molecular hydrogen
CID 167464133
1-cyclobutylpropan-1-one;molecular hydrogen;3-[2-(3-propan-2-yloxypropanoylamino)ethoxy]propanamide
CID 169158637
1-cyclohexylpropan-1-one;ethane;3-[2-(2-methoxyethoxy)ethoxy]propanamide
CID 169158833
3-[2-(2-propan-2-yloxyethoxy)ethoxy]propanoic acid
CID 87458033
cyclohexyl 4-(2-propan-2-yloxyethoxy)butanoate
CID 121470128
4-methyl-1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentan-3-one
CID 176650799
N-[3-(2-methylpropanoyl)cyclobutyl]-3-[2-(3-propan-2-yloxypropanoylamino)ethoxy]propanamide;molecular hydrogen
CID 167464240
3-(cyclohexylmethoxy)propanamide
CID 22444983
cyclobutane;3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide
CID 145370897
2-amino-1-cyclohexyl-3-methylpentan-1-one
CID 59078548

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-methylpropan-1-one;molecular hydrogen;3-[2-(2-propan-2-yloxyethoxy)ethoxy]propanamide?
The IUPAC name of 1-cyclohexyl-2-methylpropan-1-one;molecular hydrogen;3-[2-(2-propan-2-yloxyethoxy)ethoxy]propanamide (CID 169159187) is 1-cyclohexyl-2-methylpropan-1-one;molecular hydrogen;3-[2-(2-propan-2-yloxyethoxy)ethoxy]propanamide.
What is the SMILES notation for 1-cyclohexyl-2-methylpropan-1-one;molecular hydrogen;3-[2-(2-propan-2-yloxyethoxy)ethoxy]propanamide?
The canonical SMILES for 1-cyclohexyl-2-methylpropan-1-one;molecular hydrogen;3-[2-(2-propan-2-yloxyethoxy)ethoxy]propanamide is CC(C)C(=O)C1CCCCC1.CC(C)OCCOCCOCCC(N)=O.[H][H].
What is the InChIKey of 1-cyclohexyl-2-methylpropan-1-one;molecular hydrogen;3-[2-(2-propan-2-yloxyethoxy)ethoxy]propanamide?
The InChIKey is ANZHJBQDQSWXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4.C10H18O.H2/c1-9(2)15-8-7-14-6-5-13-4-3-10(11)12;1-8(2)10(11)9-6-4-3-5-7-9;/h9H,3-8H2,1-2H3,(H2,11,12);8-9H,3-7H2,1-2H3;1H.
What are the key properties of 1-cyclohexyl-2-methylpropan-1-one;molecular hydrogen;3-[2-(2-propan-2-yloxyethoxy)ethoxy]propanamide?
1-cyclohexyl-2-methylpropan-1-one;molecular hydrogen;3-[2-(2-propan-2-yloxyethoxy)ethoxy]propanamide has a molecular weight of 375.55 g/mol, XLogP of 3.36, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-methylpropan-1-one;molecular hydrogen;3-[2-(2-propan-2-yloxyethoxy)ethoxy]propanamide is sourced from PubChem (CID 169159187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).