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

C16H31N5O5 — CID 138630558

IUPACpropan-2-yl N-[2-[[2-[[2-[[2-(tert-butylamino)acetyl]amino]acetyl]amino]acetyl]amino]ethyl]carbamate
SMILESCC(C)OC(=O)NCCNC(=O)CNC(=O)CNC(=O)CNC(C)(C)C
InChIInChI=1S/C16H31N5O5/c1-11(2)26-15(25)18-7-6-17-12(22)8-19-13(23)9-20-14(24)10-21-16(3,4)5/h11,21H,6-10H2,1-5H3,(H,17,22)(H,18,25)(H,19,23)(H,20,24)
InChIKeyBICYVLFKLXHCKO-UHFFFAOYSA-N
MW373.45 g/mol
LogP-1.14
Rot. Bonds10

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

propan-2-yl N-[2-[[2-[[2-[[2-(tert-butylamino)acetyl]amino]acetyl]amino]acetyl]amino]ethyl]carbamate (PubChem CID 138630558) has the molecular formula C16H31N5O5 and a molecular weight of 373.45 g/mol. Its IUPAC name is propan-2-yl N-[2-[[2-[[2-[[2-(tert-butylamino)acetyl]amino]acetyl]amino]acetyl]amino]ethyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[2-[[2-[[2-[[2-(tert-butylamino)acetyl]amino]acetyl]amino]acetyl]amino]ethyl]carbamate
PubChem CID138630558
Molecular FormulaC16H31N5O5
Molecular Weight373.45 g/mol
Exact Mass373.23
IUPAC Namepropan-2-yl N-[2-[[2-[[2-[[2-(tert-butylamino)acetyl]amino]acetyl]amino]acetyl]amino]ethyl]carbamate
SMILESCC(C)OC(=O)NCCNC(=O)CNC(=O)CNC(=O)CNC(C)(C)C
InChIInChI=1S/C16H31N5O5/c1-11(2)26-15(25)18-7-6-17-12(22)8-19-13(23)9-20-14(24)10-21-16(3,4)5/h11,21H,6-10H2,1-5H3,(H,17,22)(H,18,25)(H,19,23)(H,20,24)
InChIKeyBICYVLFKLXHCKO-UHFFFAOYSA-N
XLogP-1.14
TPSA137.66 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 5-1.14
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[2-[[2-[[2-[[2-(tert-butylamino)acetyl]amino]acetyl]amino]acetyl]amino]ethyl]carbamate?
The IUPAC name of propan-2-yl N-[2-[[2-[[2-[[2-(tert-butylamino)acetyl]amino]acetyl]amino]acetyl]amino]ethyl]carbamate (CID 138630558) is propan-2-yl N-[2-[[2-[[2-[[2-(tert-butylamino)acetyl]amino]acetyl]amino]acetyl]amino]ethyl]carbamate.
What is the SMILES notation for propan-2-yl N-[2-[[2-[[2-[[2-(tert-butylamino)acetyl]amino]acetyl]amino]acetyl]amino]ethyl]carbamate?
The canonical SMILES for propan-2-yl N-[2-[[2-[[2-[[2-(tert-butylamino)acetyl]amino]acetyl]amino]acetyl]amino]ethyl]carbamate is CC(C)OC(=O)NCCNC(=O)CNC(=O)CNC(=O)CNC(C)(C)C.
What is the InChIKey of propan-2-yl N-[2-[[2-[[2-[[2-(tert-butylamino)acetyl]amino]acetyl]amino]acetyl]amino]ethyl]carbamate?
The InChIKey is BICYVLFKLXHCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N5O5/c1-11(2)26-15(25)18-7-6-17-12(22)8-19-13(23)9-20-14(24)10-21-16(3,4)5/h11,21H,6-10H2,1-5H3,(H,17,22)(H,18,25)(H,19,23)(H,20,24).
What are the key properties of propan-2-yl N-[2-[[2-[[2-[[2-(tert-butylamino)acetyl]amino]acetyl]amino]acetyl]amino]ethyl]carbamate?
propan-2-yl N-[2-[[2-[[2-[[2-(tert-butylamino)acetyl]amino]acetyl]amino]acetyl]amino]ethyl]carbamate has a molecular weight of 373.45 g/mol, XLogP of -1.14, 10 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[2-[[2-[[2-[[2-(tert-butylamino)acetyl]amino]acetyl]amino]acetyl]amino]ethyl]carbamate is sourced from PubChem (CID 138630558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).