N,N-dimethylmethanamine;3-(nonylcarbamoyloxy)butanoic acid

C17H36N2O4 — CID 173269465

IUPACN,N-dimethylmethanamine;3-(nonylcarbamoyloxy)butanoic acid
SMILESCCCCCCCCCNC(=O)OC(C)CC(=O)O.CN(C)C
InChIInChI=1S/C14H27NO4.C3H9N/c1-3-4-5-6-7-8-9-10-15-14(18)19-12(2)11-13(16)17;1-4(2)3/h12H,3-11H2,1-2H3,(H,15,18)(H,16,17);1-3H3
InChIKeyIZEAHGNHBSZYET-UHFFFAOYSA-N
MW332.49 g/mol
LogP3.50
Rot. Bonds11

About N,N-dimethylmethanamine;3-(nonylcarbamoyloxy)butanoic acid

N,N-dimethylmethanamine;3-(nonylcarbamoyloxy)butanoic acid (PubChem CID 173269465) has the molecular formula C17H36N2O4 and a molecular weight of 332.49 g/mol. Its IUPAC name is N,N-dimethylmethanamine;3-(nonylcarbamoyloxy)butanoic acid.

Molecular Properties

Compound NameN,N-dimethylmethanamine;3-(nonylcarbamoyloxy)butanoic acid
PubChem CID173269465
Molecular FormulaC17H36N2O4
Molecular Weight332.49 g/mol
Exact Mass332.27
IUPAC NameN,N-dimethylmethanamine;3-(nonylcarbamoyloxy)butanoic acid
SMILESCCCCCCCCCNC(=O)OC(C)CC(=O)O.CN(C)C
InChIInChI=1S/C14H27NO4.C3H9N/c1-3-4-5-6-7-8-9-10-15-14(18)19-12(2)11-13(16)17;1-4(2)3/h12H,3-11H2,1-2H3,(H,15,18)(H,16,17);1-3H3
InChIKeyIZEAHGNHBSZYET-UHFFFAOYSA-N
XLogP3.50
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(2R)-1-amino-1-oxopropan-2-yl] N-decylcarbamate
CID 129383287
[(2R)-3,3-dimethylbutan-2-yl] N-octylcarbamate
CID 134419359
ethane;4-(heptylamino)-3-methyl-4-oxobutanoic acid
CID 145321345
butan-2-yl N-[4-(dimethylamino)butyl]carbamate
CID 20721719
2-(hexylcarbamoyloxy)propyl 2-methylprop-2-enoate
CID 122555611
1-(methylamino)propan-2-yl N-butylcarbamate
CID 79338018
methyl N-nonylcarbamate
CID 5102101
2-(dimethylamino)-N-octadecylpropanamide
CID 161206779
(3S)-3-amino-4-(dodecylamino)-4-oxobutanoic acid
CID 87318913
(3S)-3-amino-4-(octadecylamino)-4-oxobutanoic acid
CID 87319026
(3S)-3-amino-4-(nonylamino)-4-oxobutanoic acid
CID 87588686
nonylcarbamoperoxoic acid
CID 140999734

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylmethanamine;3-(nonylcarbamoyloxy)butanoic acid?
The IUPAC name of N,N-dimethylmethanamine;3-(nonylcarbamoyloxy)butanoic acid (CID 173269465) is N,N-dimethylmethanamine;3-(nonylcarbamoyloxy)butanoic acid.
What is the SMILES notation for N,N-dimethylmethanamine;3-(nonylcarbamoyloxy)butanoic acid?
The canonical SMILES for N,N-dimethylmethanamine;3-(nonylcarbamoyloxy)butanoic acid is CCCCCCCCCNC(=O)OC(C)CC(=O)O.CN(C)C.
What is the InChIKey of N,N-dimethylmethanamine;3-(nonylcarbamoyloxy)butanoic acid?
The InChIKey is IZEAHGNHBSZYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO4.C3H9N/c1-3-4-5-6-7-8-9-10-15-14(18)19-12(2)11-13(16)17;1-4(2)3/h12H,3-11H2,1-2H3,(H,15,18)(H,16,17);1-3H3.
What are the key properties of N,N-dimethylmethanamine;3-(nonylcarbamoyloxy)butanoic acid?
N,N-dimethylmethanamine;3-(nonylcarbamoyloxy)butanoic acid has a molecular weight of 332.49 g/mol, XLogP of 3.50, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylmethanamine;3-(nonylcarbamoyloxy)butanoic acid is sourced from PubChem (CID 173269465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).