tetradecyl 2-[methoxycarbonyl(methyl)amino]acetate

C19H37NO4 — CID 91703020

IUPACtetradecyl 2-[methoxycarbonyl(methyl)amino]acetate
SMILESCCCCCCCCCCCCCCOC(=O)CN(C)C(=O)OC
InChIInChI=1S/C19H37NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-24-18(21)17-20(2)19(22)23-3/h4-17H2,1-3H3
InChIKeyDMHAEJAWAFRFRI-UHFFFAOYSA-N
MW343.51 g/mol
LogP4.93
Rot. Bonds15

About tetradecyl 2-[methoxycarbonyl(methyl)amino]acetate

tetradecyl 2-[methoxycarbonyl(methyl)amino]acetate (PubChem CID 91703020) has the molecular formula C19H37NO4 and a molecular weight of 343.51 g/mol. Its IUPAC name is tetradecyl 2-[methoxycarbonyl(methyl)amino]acetate.

Molecular Properties

Compound Nametetradecyl 2-[methoxycarbonyl(methyl)amino]acetate
PubChem CID91703020
Molecular FormulaC19H37NO4
Molecular Weight343.51 g/mol
Exact Mass343.27
IUPAC Nametetradecyl 2-[methoxycarbonyl(methyl)amino]acetate
SMILESCCCCCCCCCCCCCCOC(=O)CN(C)C(=O)OC
InChIInChI=1S/C19H37NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-24-18(21)17-20(2)19(22)23-3/h4-17H2,1-3H3
InChIKeyDMHAEJAWAFRFRI-UHFFFAOYSA-N
XLogP4.93
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.51
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Ethanaminium, 2-(dodecyloxy)-N,N,N-trimethyl-2-oxo-, chloride (1:1)
CID 3036596
Prodeconium Bromide
CID 3083817
2-(Hexadecyloxy)-N,N,N-trimethyl-2-oxoethan-1-aminium bromide
CID 44400444
Acetic acid, (diethylamino)oxo-, octyl ester
CID 3042718
Acetic acid, (diethylamino)oxo-, nonyl ester
CID 3042719
dodecyl-N,N-dimethylaminoacetate
CID 129378
Decyl 2-dimethylaminoacetate
CID 180016
Dodecyl N,N-dimethylalaninate
CID 3025823
Dodecyl 2-(dimethylamino)propanoate hydrochloride
CID 10314021
L-Alanine, N,N-dimethyl-, dodecyl ester
CID 21149977
Ethanaminium, 2-(dodecyloxy)-N,N,N-trimethyl-2-oxo-
CID 3036597
Ethanaminium, 2-(hexadecyloxy)-N,N,N-trimethyl-2-oxo-, chloride
CID 11326397

Frequently Asked Questions

What is the IUPAC name of tetradecyl 2-[methoxycarbonyl(methyl)amino]acetate?
The IUPAC name of tetradecyl 2-[methoxycarbonyl(methyl)amino]acetate (CID 91703020) is tetradecyl 2-[methoxycarbonyl(methyl)amino]acetate.
What is the SMILES notation for tetradecyl 2-[methoxycarbonyl(methyl)amino]acetate?
The canonical SMILES for tetradecyl 2-[methoxycarbonyl(methyl)amino]acetate is CCCCCCCCCCCCCCOC(=O)CN(C)C(=O)OC.
What is the InChIKey of tetradecyl 2-[methoxycarbonyl(methyl)amino]acetate?
The InChIKey is DMHAEJAWAFRFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-24-18(21)17-20(2)19(22)23-3/h4-17H2,1-3H3.
What are the key properties of tetradecyl 2-[methoxycarbonyl(methyl)amino]acetate?
tetradecyl 2-[methoxycarbonyl(methyl)amino]acetate has a molecular weight of 343.51 g/mol, XLogP of 4.93, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetradecyl 2-[methoxycarbonyl(methyl)amino]acetate is sourced from PubChem (CID 91703020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).