ethyl N-[2-[[2-[[2-[[2-(tert-butylamino)acetyl]amino]acetyl]amino]acetyl]amino]ethyl]carbamate

C15H29N5O5 — CID 146227384

IUPACethyl N-[2-[[2-[[2-[[2-(tert-butylamino)acetyl]amino]acetyl]amino]acetyl]amino]ethyl]carbamate
SMILESCCOC(=O)NCCNC(=O)CNC(=O)CNC(=O)CNC(C)(C)C
InChIInChI=1S/C15H29N5O5/c1-5-25-14(24)17-7-6-16-11(21)8-18-12(22)9-19-13(23)10-20-15(2,3)4/h20H,5-10H2,1-4H3,(H,16,21)(H,17,24)(H,18,22)(H,19,23)
InChIKeyRSMTYCFXSLVZQT-UHFFFAOYSA-N
MW359.43 g/mol
LogP-1.53
Rot. Bonds10

About ethyl N-[2-[[2-[[2-[[2-(tert-butylamino)acetyl]amino]acetyl]amino]acetyl]amino]ethyl]carbamate

ethyl N-[2-[[2-[[2-[[2-(tert-butylamino)acetyl]amino]acetyl]amino]acetyl]amino]ethyl]carbamate (PubChem CID 146227384) has the molecular formula C15H29N5O5 and a molecular weight of 359.43 g/mol. Its IUPAC name is ethyl N-[2-[[2-[[2-[[2-(tert-butylamino)acetyl]amino]acetyl]amino]acetyl]amino]ethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[[2-[[2-[[2-(tert-butylamino)acetyl]amino]acetyl]amino]acetyl]amino]ethyl]carbamate
PubChem CID146227384
Molecular FormulaC15H29N5O5
Molecular Weight359.43 g/mol
Exact Mass359.22
IUPAC Nameethyl N-[2-[[2-[[2-[[2-(tert-butylamino)acetyl]amino]acetyl]amino]acetyl]amino]ethyl]carbamate
SMILESCCOC(=O)NCCNC(=O)CNC(=O)CNC(=O)CNC(C)(C)C
InChIInChI=1S/C15H29N5O5/c1-5-25-14(24)17-7-6-16-11(21)8-18-12(22)9-19-13(23)10-20-15(2,3)4/h20H,5-10H2,1-4H3,(H,16,21)(H,17,24)(H,18,22)(H,19,23)
InChIKeyRSMTYCFXSLVZQT-UHFFFAOYSA-N
XLogP-1.53
TPSA137.66 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 5-1.53
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethyl N-[2-[[2-[[2-[[2-(tert-butylamino)acetyl]amino]acetyl]amino]acetyl]amino]ethyl]carbamate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[[2-[[2-[[2-(tert-butylamino)acetyl]amino]acetyl]amino]acetyl]amino]ethyl]carbamate?
The IUPAC name of ethyl N-[2-[[2-[[2-[[2-(tert-butylamino)acetyl]amino]acetyl]amino]acetyl]amino]ethyl]carbamate (CID 146227384) is ethyl N-[2-[[2-[[2-[[2-(tert-butylamino)acetyl]amino]acetyl]amino]acetyl]amino]ethyl]carbamate.
What is the SMILES notation for ethyl N-[2-[[2-[[2-[[2-(tert-butylamino)acetyl]amino]acetyl]amino]acetyl]amino]ethyl]carbamate?
The canonical SMILES for ethyl N-[2-[[2-[[2-[[2-(tert-butylamino)acetyl]amino]acetyl]amino]acetyl]amino]ethyl]carbamate is CCOC(=O)NCCNC(=O)CNC(=O)CNC(=O)CNC(C)(C)C.
What is the InChIKey of ethyl N-[2-[[2-[[2-[[2-(tert-butylamino)acetyl]amino]acetyl]amino]acetyl]amino]ethyl]carbamate?
The InChIKey is RSMTYCFXSLVZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5O5/c1-5-25-14(24)17-7-6-16-11(21)8-18-12(22)9-19-13(23)10-20-15(2,3)4/h20H,5-10H2,1-4H3,(H,16,21)(H,17,24)(H,18,22)(H,19,23).
What are the key properties of ethyl N-[2-[[2-[[2-[[2-(tert-butylamino)acetyl]amino]acetyl]amino]acetyl]amino]ethyl]carbamate?
ethyl N-[2-[[2-[[2-[[2-(tert-butylamino)acetyl]amino]acetyl]amino]acetyl]amino]ethyl]carbamate has a molecular weight of 359.43 g/mol, XLogP of -1.53, 10 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[[2-[[2-[[2-(tert-butylamino)acetyl]amino]acetyl]amino]acetyl]amino]ethyl]carbamate is sourced from PubChem (CID 146227384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).