[6-methylheptyl(propanoyloxy)amino] propanoate

C14H27NO4 — CID 169002985

IUPAC[6-methylheptyl(propanoyloxy)amino] propanoate
SMILESCCC(=O)ON(CCCCCC(C)C)OC(=O)CC
InChIInChI=1S/C14H27NO4/c1-5-13(16)18-15(19-14(17)6-2)11-9-7-8-10-12(3)4/h12H,5-11H2,1-4H3
InChIKeyYWESRMQXIKRYRM-UHFFFAOYSA-N
MW273.37 g/mol
LogP3.24
Rot. Bonds10

About [6-methylheptyl(propanoyloxy)amino] propanoate

[6-methylheptyl(propanoyloxy)amino] propanoate (PubChem CID 169002985) has the molecular formula C14H27NO4 and a molecular weight of 273.37 g/mol. Its IUPAC name is [6-methylheptyl(propanoyloxy)amino] propanoate.

Molecular Properties

Compound Name[6-methylheptyl(propanoyloxy)amino] propanoate
PubChem CID169002985
Molecular FormulaC14H27NO4
Molecular Weight273.37 g/mol
Exact Mass273.19
IUPAC Name[6-methylheptyl(propanoyloxy)amino] propanoate
SMILESCCC(=O)ON(CCCCCC(C)C)OC(=O)CC
InChIInChI=1S/C14H27NO4/c1-5-13(16)18-15(19-14(17)6-2)11-9-7-8-10-12(3)4/h12H,5-11H2,1-4H3
InChIKeyYWESRMQXIKRYRM-UHFFFAOYSA-N
XLogP3.24
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [6-methylheptyl(propanoyloxy)amino] propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[dodecyl(propanoyloxy)amino] propanoate
CID 87471724
[octyl(propanoyloxy)amino] propanoate
CID 87337944
[(2S,3S)-3,10-dimethylundecan-2-yl] propanoate
CID 11747242
7-methyloctanoyl 16-methylheptadecanoate
CID 140995309
[2-chloroethyl(propanoyloxy)amino] propanoate
CID 135313522
[hydroxy-[5-[hydroxy(propanoyloxy)amino]pentyl]amino] propanoate
CID 146230533
N,2-dimethyl-N-(8-methylnonyl)propanamide
CID 161045695
dodecanoyl 16-methylheptadecanoate
CID 141056347
3,11-dimethyldodecanoyl 3,11-dimethyldodecanoate
CID 175237310
N,N,20-trimethylhenicosan-1-amine;hydrochloride
CID 173055097
N-but-1-en-2-yl-N-(6-methylheptyl)propanamide;ethane
CID 145339441
7-methyloctanoyl 6-methyloctanoate
CID 175540560

Frequently Asked Questions

What is the IUPAC name of [6-methylheptyl(propanoyloxy)amino] propanoate?
The IUPAC name of [6-methylheptyl(propanoyloxy)amino] propanoate (CID 169002985) is [6-methylheptyl(propanoyloxy)amino] propanoate.
What is the SMILES notation for [6-methylheptyl(propanoyloxy)amino] propanoate?
The canonical SMILES for [6-methylheptyl(propanoyloxy)amino] propanoate is CCC(=O)ON(CCCCCC(C)C)OC(=O)CC.
What is the InChIKey of [6-methylheptyl(propanoyloxy)amino] propanoate?
The InChIKey is YWESRMQXIKRYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO4/c1-5-13(16)18-15(19-14(17)6-2)11-9-7-8-10-12(3)4/h12H,5-11H2,1-4H3.
What are the key properties of [6-methylheptyl(propanoyloxy)amino] propanoate?
[6-methylheptyl(propanoyloxy)amino] propanoate has a molecular weight of 273.37 g/mol, XLogP of 3.24, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methylheptyl(propanoyloxy)amino] propanoate is sourced from PubChem (CID 169002985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).