[(4-amino-4-oxobutanoyl)amino] hexadecanoate

C20H38N2O4 — CID 87091320

IUPAC[(4-amino-4-oxobutanoyl)amino] hexadecanoate
SMILESCCCCCCCCCCCCCCCC(=O)ONC(=O)CCC(N)=O
InChIInChI=1S/C20H38N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(25)26-22-19(24)17-16-18(21)23/h2-17H2,1H3,(H2,21,23)(H,22,24)
InChIKeyZVTQITSQVVMBHM-UHFFFAOYSA-N
MW370.53 g/mol
LogP4.31
Rot. Bonds17

About [(4-amino-4-oxobutanoyl)amino] hexadecanoate

[(4-amino-4-oxobutanoyl)amino] hexadecanoate (PubChem CID 87091320) has the molecular formula C20H38N2O4 and a molecular weight of 370.53 g/mol. Its IUPAC name is [(4-amino-4-oxobutanoyl)amino] hexadecanoate.

Molecular Properties

Compound Name[(4-amino-4-oxobutanoyl)amino] hexadecanoate
PubChem CID87091320
Molecular FormulaC20H38N2O4
Molecular Weight370.53 g/mol
Exact Mass370.28
IUPAC Name[(4-amino-4-oxobutanoyl)amino] hexadecanoate
SMILESCCCCCCCCCCCCCCCC(=O)ONC(=O)CCC(N)=O
InChIInChI=1S/C20H38N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(25)26-22-19(24)17-16-18(21)23/h2-17H2,1H3,(H2,21,23)(H,22,24)
InChIKeyZVTQITSQVVMBHM-UHFFFAOYSA-N
XLogP4.31
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.53
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(octadecanoylamino) 4-amino-4-oxobutanoate
CID 175587218
6-[(4-amino-4-oxobutanoyl)amino]oxy-6-oxohexanoic acid
CID 174808609
(octadecanoylamino) (Z)-octadec-9-enoate
CID 88515409
calcium;hydride;10-(octadecanoylamino)oxy-10-oxodecanoic acid
CID 173298911
(hexadecanoylamino) 6-methylheptanoate
CID 88510507
tetradecanamide
CID 175692014
nonacosanamide
CID 21105912
tetrapentacontanamide
CID 139682680
(methoxycarbonylamino) octanoate
CID 87952242
acetamido hexanoate
CID 57050446
(ethoxycarbonylamino) pentadecanoate
CID 175508172
dodecanamide;N-methylmethanamine
CID 159337435

Frequently Asked Questions

What is the IUPAC name of [(4-amino-4-oxobutanoyl)amino] hexadecanoate?
The IUPAC name of [(4-amino-4-oxobutanoyl)amino] hexadecanoate (CID 87091320) is [(4-amino-4-oxobutanoyl)amino] hexadecanoate.
What is the SMILES notation for [(4-amino-4-oxobutanoyl)amino] hexadecanoate?
The canonical SMILES for [(4-amino-4-oxobutanoyl)amino] hexadecanoate is CCCCCCCCCCCCCCCC(=O)ONC(=O)CCC(N)=O.
What is the InChIKey of [(4-amino-4-oxobutanoyl)amino] hexadecanoate?
The InChIKey is ZVTQITSQVVMBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(25)26-22-19(24)17-16-18(21)23/h2-17H2,1H3,(H2,21,23)(H,22,24).
What are the key properties of [(4-amino-4-oxobutanoyl)amino] hexadecanoate?
[(4-amino-4-oxobutanoyl)amino] hexadecanoate has a molecular weight of 370.53 g/mol, XLogP of 4.31, 17 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-amino-4-oxobutanoyl)amino] hexadecanoate is sourced from PubChem (CID 87091320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).