tetradecyl 2-(propoxycarbonylamino)propanoate

C21H41NO4 — CID 6422780

IUPACtetradecyl 2-(propoxycarbonylamino)propanoate
SMILESCCCCCCCCCCCCCCOC(=O)C(C)NC(=O)OCCC
InChIInChI=1S/C21H41NO4/c1-4-6-7-8-9-10-11-12-13-14-15-16-18-25-20(23)19(3)22-21(24)26-17-5-2/h19H,4-18H2,1-3H3,(H,22,24)
InChIKeyBKCMODWATLPOBK-UHFFFAOYSA-N
MW371.56 g/mol
LogP5.76
Rot. Bonds17

About tetradecyl 2-(propoxycarbonylamino)propanoate

tetradecyl 2-(propoxycarbonylamino)propanoate (PubChem CID 6422780) has the molecular formula C21H41NO4 and a molecular weight of 371.56 g/mol. Its IUPAC name is tetradecyl 2-(propoxycarbonylamino)propanoate.

Molecular Properties

Compound Nametetradecyl 2-(propoxycarbonylamino)propanoate
PubChem CID6422780
Molecular FormulaC21H41NO4
Molecular Weight371.56 g/mol
Exact Mass371.30
IUPAC Nametetradecyl 2-(propoxycarbonylamino)propanoate
SMILESCCCCCCCCCCCCCCOC(=O)C(C)NC(=O)OCCC
InChIInChI=1S/C21H41NO4/c1-4-6-7-8-9-10-11-12-13-14-15-16-18-25-20(23)19(3)22-21(24)26-17-5-2/h19H,4-18H2,1-3H3,(H,22,24)
InChIKeyBKCMODWATLPOBK-UHFFFAOYSA-N
XLogP5.76
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.56
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tetradecyl 2-(propoxycarbonylamino)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

heptadecyl (2S)-2-(butoxycarbonylamino)propanoate
CID 20837023
dodecyl 2-(2-chloroethoxycarbonylamino)propanoate
CID 91720984
octyl 2-(2-chloroethoxycarbonylamino)propanoate
CID 91720964
dodecyl (2S)-2-(methoxycarbonylamino)propanoate
CID 20836777
octadecyl (2S)-2-(2-methylpropoxycarbonylamino)propanoate
CID 20837039
(2S)-2-(hexoxycarbonylamino)propanoic acid
CID 139881168
heptadecyl 2-(2,2-dimethylpropoxycarbonylamino)propanoate
CID 91722940
heptyl 3-methyl-2-(propoxycarbonylamino)butanoate
CID 6424369
decyl (2S)-3-methyl-2-(propoxycarbonylamino)butanoate
CID 20837206
dodecyl 3-methyl-2-(propoxycarbonylamino)pentanoate
CID 6424684
undec-10-enyl 2-(butoxycarbonylamino)propanoate
CID 6423167
hexadecyl 2-(propoxycarbonylamino)hexanoate
CID 91726017

Frequently Asked Questions

What is the IUPAC name of tetradecyl 2-(propoxycarbonylamino)propanoate?
The IUPAC name of tetradecyl 2-(propoxycarbonylamino)propanoate (CID 6422780) is tetradecyl 2-(propoxycarbonylamino)propanoate.
What is the SMILES notation for tetradecyl 2-(propoxycarbonylamino)propanoate?
The canonical SMILES for tetradecyl 2-(propoxycarbonylamino)propanoate is CCCCCCCCCCCCCCOC(=O)C(C)NC(=O)OCCC.
What is the InChIKey of tetradecyl 2-(propoxycarbonylamino)propanoate?
The InChIKey is BKCMODWATLPOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41NO4/c1-4-6-7-8-9-10-11-12-13-14-15-16-18-25-20(23)19(3)22-21(24)26-17-5-2/h19H,4-18H2,1-3H3,(H,22,24).
What are the key properties of tetradecyl 2-(propoxycarbonylamino)propanoate?
tetradecyl 2-(propoxycarbonylamino)propanoate has a molecular weight of 371.56 g/mol, XLogP of 5.76, 17 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetradecyl 2-(propoxycarbonylamino)propanoate is sourced from PubChem (CID 6422780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).