tetradecyl 4-[hydroxy(methyl)amino]-4-oxobutanoate

C19H37NO4 — CID 21353505

IUPACtetradecyl 4-[hydroxy(methyl)amino]-4-oxobutanoate
SMILESCCCCCCCCCCCCCCOC(=O)CCC(=O)N(C)O
InChIInChI=1S/C19H37NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-24-19(22)16-15-18(21)20(2)23/h23H,3-17H2,1-2H3
InChIKeyNWWPVSXKFJIBBM-UHFFFAOYSA-N
MW343.51 g/mol
LogP4.86
Rot. Bonds16

About tetradecyl 4-[hydroxy(methyl)amino]-4-oxobutanoate

tetradecyl 4-[hydroxy(methyl)amino]-4-oxobutanoate (PubChem CID 21353505) has the molecular formula C19H37NO4 and a molecular weight of 343.51 g/mol. Its IUPAC name is tetradecyl 4-[hydroxy(methyl)amino]-4-oxobutanoate.

Molecular Properties

Compound Nametetradecyl 4-[hydroxy(methyl)amino]-4-oxobutanoate
PubChem CID21353505
Molecular FormulaC19H37NO4
Molecular Weight343.51 g/mol
Exact Mass343.27
IUPAC Nametetradecyl 4-[hydroxy(methyl)amino]-4-oxobutanoate
SMILESCCCCCCCCCCCCCCOC(=O)CCC(=O)N(C)O
InChIInChI=1S/C19H37NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-24-19(22)16-15-18(21)20(2)23/h23H,3-17H2,1-2H3
InChIKeyNWWPVSXKFJIBBM-UHFFFAOYSA-N
XLogP4.86
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.51
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-O-butyl 4-O-heptyl butanedioate
CID 91701655
dihexadecyl butanedioate
CID 3572854
1-O-octyl 4-O-undecyl butanedioate
CID 91702141
1-O-dodecyl 4-O-octadecyl butanedioate
CID 151076861
dodecyl 4-[methyl(octadecyl)amino]-4-oxobutanoate
CID 101425995
1-O-butyl 7-O-dodecyl heptanedioate
CID 91732656
butyl octadecanoate;octyl hexadecanoate
CID 175006742
1-O-butyl 6-O-decyl hexanedioate
CID 3018277
1-O-butyl 7-O-nonyl heptanedioate
CID 91732654
pentacosyl octadecanoate
CID 3085781
1-O-heptyl 10-O-hexadecyl decanedioate
CID 91729407
dioctyl tridecanedioate
CID 54130033

Frequently Asked Questions

What is the IUPAC name of tetradecyl 4-[hydroxy(methyl)amino]-4-oxobutanoate?
The IUPAC name of tetradecyl 4-[hydroxy(methyl)amino]-4-oxobutanoate (CID 21353505) is tetradecyl 4-[hydroxy(methyl)amino]-4-oxobutanoate.
What is the SMILES notation for tetradecyl 4-[hydroxy(methyl)amino]-4-oxobutanoate?
The canonical SMILES for tetradecyl 4-[hydroxy(methyl)amino]-4-oxobutanoate is CCCCCCCCCCCCCCOC(=O)CCC(=O)N(C)O.
What is the InChIKey of tetradecyl 4-[hydroxy(methyl)amino]-4-oxobutanoate?
The InChIKey is NWWPVSXKFJIBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-24-19(22)16-15-18(21)20(2)23/h23H,3-17H2,1-2H3.
What are the key properties of tetradecyl 4-[hydroxy(methyl)amino]-4-oxobutanoate?
tetradecyl 4-[hydroxy(methyl)amino]-4-oxobutanoate has a molecular weight of 343.51 g/mol, XLogP of 4.86, 16 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetradecyl 4-[hydroxy(methyl)amino]-4-oxobutanoate is sourced from PubChem (CID 21353505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).