N-(2-butan-2-yloxyethyl)-2-methyl-2-(propoxymethyl)butanamide;ethane;molecular hydrogen

C17H39NO3 — CID 176679206

IUPACN-(2-butan-2-yloxyethyl)-2-methyl-2-(propoxymethyl)butanamide;ethane;molecular hydrogen
SMILESCC.CCCOCC(C)(CC)C(=O)NCCOC(C)CC.[H][H]
InChIInChI=1S/C15H31NO3.C2H6.H2/c1-6-10-18-12-15(5,8-3)14(17)16-9-11-19-13(4)7-2;1-2;/h13H,6-12H2,1-5H3,(H,16,17);1-2H3;1H
InChIKeyFBBIUZXNRXNRMW-UHFFFAOYSA-N
MW305.50 g/mol
LogP4.03
Rot. Bonds11

About N-(2-butan-2-yloxyethyl)-2-methyl-2-(propoxymethyl)butanamide;ethane;molecular hydrogen

N-(2-butan-2-yloxyethyl)-2-methyl-2-(propoxymethyl)butanamide;ethane;molecular hydrogen (PubChem CID 176679206) has the molecular formula C17H39NO3 and a molecular weight of 305.50 g/mol. Its IUPAC name is N-(2-butan-2-yloxyethyl)-2-methyl-2-(propoxymethyl)butanamide;ethane;molecular hydrogen.

Molecular Properties

Compound NameN-(2-butan-2-yloxyethyl)-2-methyl-2-(propoxymethyl)butanamide;ethane;molecular hydrogen
PubChem CID176679206
Molecular FormulaC17H39NO3
Molecular Weight305.50 g/mol
Exact Mass305.29
IUPAC NameN-(2-butan-2-yloxyethyl)-2-methyl-2-(propoxymethyl)butanamide;ethane;molecular hydrogen
SMILESCC.CCCOCC(C)(CC)C(=O)NCCOC(C)CC.[H][H]
InChIInChI=1S/C15H31NO3.C2H6.H2/c1-6-10-18-12-15(5,8-3)14(17)16-9-11-19-13(4)7-2;1-2;/h13H,6-12H2,1-5H3,(H,16,17);1-2H3;1H
InChIKeyFBBIUZXNRXNRMW-UHFFFAOYSA-N
XLogP4.03
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.50
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-3-propoxy-N-propylpropanamide
CID 164771846
2-(aminomethyl)-2-methyl-N-(2-propan-2-yloxyethyl)butanamide
CID 104759857
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
2-methyl-4-(2-propoxyethoxy)-2-(propylamino)pentanoic acid
CID 64720042
N-(butan-2-yloxymethyl)-2-ethyl-N'-(methoxymethyl)-2,4,4-trimethylpentanediamide
CID 58890570
3-(2-butan-2-yloxyethoxy)propanoic acid
CID 59266758
molecular hydrogen;N-(2-propoxyethyl)propanamide
CID 170639851
methyl 2-amino-2-methyl-4-(2-propoxyethoxy)pentanoate
CID 64720266
N-[2-(2-amino-2-oxoethoxy)ethyl]-2-carbamothioyl-2-methylbutanamide
CID 106237122
2-methyl-2-(methylamino)-4-(2-propoxyethoxy)pentanoic acid
CID 64720044
1-(3-butan-2-yloxypropyl)-3-methylurea;molecular hydrogen
CID 142284413
ethane;molecular hydrogen;propane;(4-sulfanylcyclohexyl) N-[2-(2-propoxyethoxy)ethyl]carbamate
CID 142541943

Frequently Asked Questions

What is the IUPAC name of N-(2-butan-2-yloxyethyl)-2-methyl-2-(propoxymethyl)butanamide;ethane;molecular hydrogen?
The IUPAC name of N-(2-butan-2-yloxyethyl)-2-methyl-2-(propoxymethyl)butanamide;ethane;molecular hydrogen (CID 176679206) is N-(2-butan-2-yloxyethyl)-2-methyl-2-(propoxymethyl)butanamide;ethane;molecular hydrogen.
What is the SMILES notation for N-(2-butan-2-yloxyethyl)-2-methyl-2-(propoxymethyl)butanamide;ethane;molecular hydrogen?
The canonical SMILES for N-(2-butan-2-yloxyethyl)-2-methyl-2-(propoxymethyl)butanamide;ethane;molecular hydrogen is CC.CCCOCC(C)(CC)C(=O)NCCOC(C)CC.[H][H].
What is the InChIKey of N-(2-butan-2-yloxyethyl)-2-methyl-2-(propoxymethyl)butanamide;ethane;molecular hydrogen?
The InChIKey is FBBIUZXNRXNRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO3.C2H6.H2/c1-6-10-18-12-15(5,8-3)14(17)16-9-11-19-13(4)7-2;1-2;/h13H,6-12H2,1-5H3,(H,16,17);1-2H3;1H.
What are the key properties of N-(2-butan-2-yloxyethyl)-2-methyl-2-(propoxymethyl)butanamide;ethane;molecular hydrogen?
N-(2-butan-2-yloxyethyl)-2-methyl-2-(propoxymethyl)butanamide;ethane;molecular hydrogen has a molecular weight of 305.50 g/mol, XLogP of 4.03, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butan-2-yloxyethyl)-2-methyl-2-(propoxymethyl)butanamide;ethane;molecular hydrogen is sourced from PubChem (CID 176679206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).