N-[3-(2-methylpropanoyl)cyclobutyl]-3-[2-(3-propan-2-yloxypropanoylamino)ethoxy]propanamide;molecular hydrogen

C19H38N2O5 — CID 167464240

IUPACN-[3-(2-methylpropanoyl)cyclobutyl]-3-[2-(3-propan-2-yloxypropanoylamino)ethoxy]propanamide;molecular hydrogen
SMILESCC(C)OCCC(=O)NCCOCCC(=O)NC1CC(C(=O)C(C)C)C1.[H][H].[H][H]
InChIInChI=1S/C19H34N2O5.2H2/c1-13(2)19(24)15-11-16(12-15)21-18(23)5-8-25-10-7-20-17(22)6-9-26-14(3)4;;/h13-16H,5-12H2,1-4H3,(H,20,22)(H,21,23);2*1H
InChIKeyLKFGOURYBGKZNY-UHFFFAOYSA-N
MW374.52 g/mol
LogP1.94
Rot. Bonds13

About N-[3-(2-methylpropanoyl)cyclobutyl]-3-[2-(3-propan-2-yloxypropanoylamino)ethoxy]propanamide;molecular hydrogen

N-[3-(2-methylpropanoyl)cyclobutyl]-3-[2-(3-propan-2-yloxypropanoylamino)ethoxy]propanamide;molecular hydrogen (PubChem CID 167464240) has the molecular formula C19H38N2O5 and a molecular weight of 374.52 g/mol. Its IUPAC name is N-[3-(2-methylpropanoyl)cyclobutyl]-3-[2-(3-propan-2-yloxypropanoylamino)ethoxy]propanamide;molecular hydrogen.

Molecular Properties

Compound NameN-[3-(2-methylpropanoyl)cyclobutyl]-3-[2-(3-propan-2-yloxypropanoylamino)ethoxy]propanamide;molecular hydrogen
PubChem CID167464240
Molecular FormulaC19H38N2O5
Molecular Weight374.52 g/mol
Exact Mass374.28
IUPAC NameN-[3-(2-methylpropanoyl)cyclobutyl]-3-[2-(3-propan-2-yloxypropanoylamino)ethoxy]propanamide;molecular hydrogen
SMILESCC(C)OCCC(=O)NCCOCCC(=O)NC1CC(C(=O)C(C)C)C1.[H][H].[H][H]
InChIInChI=1S/C19H34N2O5.2H2/c1-13(2)19(24)15-11-16(12-15)21-18(23)5-8-25-10-7-20-17(22)6-9-26-14(3)4;;/h13-16H,5-12H2,1-4H3,(H,20,22)(H,21,23);2*1H
InChIKeyLKFGOURYBGKZNY-UHFFFAOYSA-N
XLogP1.94
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.52
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxy-N-[2-[3-[[4-(2-methylpropanoyl)cyclohexyl]amino]-3-oxopropoxy]ethyl]propanamide;molecular hydrogen
CID 169159088
N-[2-[3-[[4-(2-methylpropanoyl)cyclohexyl]amino]-3-oxopropoxy]ethyl]butanamide
CID 169159425
2-methyl-N-[2-[2-[3-[[4-(2-methylpropanoyl)cyclohexyl]amino]-3-oxopropoxy]ethoxy]ethyl]propanamide
CID 169158396
3-[2-[(2-methoxyacetyl)amino]ethoxy]-N-[4-(2-methylpropanoyl)cyclohexyl]propanamide
CID 178082713
ethane;2-methyl-N-[2-[2-[3-[[4-(2-methylpropanoyl)cyclohexyl]amino]-3-oxopropoxy]ethoxy]ethyl]propanamide
CID 177357226
3-[2-(2-ethoxyethoxy)ethoxy]-N-(2-propan-2-yloxyethyl)propanamide;molecular hydrogen
CID 156820526
1-cyclobutylpropan-1-one;molecular hydrogen;3-[2-(3-propan-2-yloxypropanoylamino)ethoxy]propanamide
CID 169158637
molecular hydrogen;4-propan-2-yloxy-N-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethyl]butanamide
CID 155739531
molecular hydrogen;N-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethyl]-3-[2-[[2-[2-(2-propoxyethoxy)ethoxy]acetyl]amino]ethoxy]propanamide
CID 176953270
3-[[4-(butan-2-yloxymethyl)cyclohexyl]methoxy]-N-[3-(2-methylpropanoyl)cyclobutyl]propanamide
CID 169158368
cis-(1R,3S)-3-(3-propan-2-yloxypropanoylamino)cyclopentane-1-carboxylic acid
CID 120678543
molecular hydrogen;3-[2-[2-(propanoylamino)ethoxy]ethoxy]-N-(4-propanoylcyclohexyl)propanamide
CID 169159539

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylpropanoyl)cyclobutyl]-3-[2-(3-propan-2-yloxypropanoylamino)ethoxy]propanamide;molecular hydrogen?
The IUPAC name of N-[3-(2-methylpropanoyl)cyclobutyl]-3-[2-(3-propan-2-yloxypropanoylamino)ethoxy]propanamide;molecular hydrogen (CID 167464240) is N-[3-(2-methylpropanoyl)cyclobutyl]-3-[2-(3-propan-2-yloxypropanoylamino)ethoxy]propanamide;molecular hydrogen.
What is the SMILES notation for N-[3-(2-methylpropanoyl)cyclobutyl]-3-[2-(3-propan-2-yloxypropanoylamino)ethoxy]propanamide;molecular hydrogen?
The canonical SMILES for N-[3-(2-methylpropanoyl)cyclobutyl]-3-[2-(3-propan-2-yloxypropanoylamino)ethoxy]propanamide;molecular hydrogen is CC(C)OCCC(=O)NCCOCCC(=O)NC1CC(C(=O)C(C)C)C1.[H][H].[H][H].
What is the InChIKey of N-[3-(2-methylpropanoyl)cyclobutyl]-3-[2-(3-propan-2-yloxypropanoylamino)ethoxy]propanamide;molecular hydrogen?
The InChIKey is LKFGOURYBGKZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O5.2H2/c1-13(2)19(24)15-11-16(12-15)21-18(23)5-8-25-10-7-20-17(22)6-9-26-14(3)4;;/h13-16H,5-12H2,1-4H3,(H,20,22)(H,21,23);2*1H.
What are the key properties of N-[3-(2-methylpropanoyl)cyclobutyl]-3-[2-(3-propan-2-yloxypropanoylamino)ethoxy]propanamide;molecular hydrogen?
N-[3-(2-methylpropanoyl)cyclobutyl]-3-[2-(3-propan-2-yloxypropanoylamino)ethoxy]propanamide;molecular hydrogen has a molecular weight of 374.52 g/mol, XLogP of 1.94, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylpropanoyl)cyclobutyl]-3-[2-(3-propan-2-yloxypropanoylamino)ethoxy]propanamide;molecular hydrogen is sourced from PubChem (CID 167464240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).