ethyl N-[2-[[2-[[2-[[2-(propan-2-ylamino)acetyl]amino]acetyl]amino]acetyl]amino]ethyl]carbamate

C14H27N5O5 — CID 138630473

IUPACethyl N-[2-[[2-[[2-[[2-(propan-2-ylamino)acetyl]amino]acetyl]amino]acetyl]amino]ethyl]carbamate
SMILESCCOC(=O)NCCNC(=O)CNC(=O)CNC(=O)CNC(C)C
InChIInChI=1S/C14H27N5O5/c1-4-24-14(23)16-6-5-15-11(20)8-18-13(22)9-19-12(21)7-17-10(2)3/h10,17H,4-9H2,1-3H3,(H,15,20)(H,16,23)(H,18,22)(H,19,21)
InChIKeyAURXFFVMFTVSNF-UHFFFAOYSA-N
MW345.40 g/mol
LogP-1.92
Rot. Bonds11

About ethyl N-[2-[[2-[[2-[[2-(propan-2-ylamino)acetyl]amino]acetyl]amino]acetyl]amino]ethyl]carbamate

ethyl N-[2-[[2-[[2-[[2-(propan-2-ylamino)acetyl]amino]acetyl]amino]acetyl]amino]ethyl]carbamate (PubChem CID 138630473) has the molecular formula C14H27N5O5 and a molecular weight of 345.40 g/mol. Its IUPAC name is ethyl N-[2-[[2-[[2-[[2-(propan-2-ylamino)acetyl]amino]acetyl]amino]acetyl]amino]ethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[[2-[[2-[[2-(propan-2-ylamino)acetyl]amino]acetyl]amino]acetyl]amino]ethyl]carbamate
PubChem CID138630473
Molecular FormulaC14H27N5O5
Molecular Weight345.40 g/mol
Exact Mass345.20
IUPAC Nameethyl N-[2-[[2-[[2-[[2-(propan-2-ylamino)acetyl]amino]acetyl]amino]acetyl]amino]ethyl]carbamate
SMILESCCOC(=O)NCCNC(=O)CNC(=O)CNC(=O)CNC(C)C
InChIInChI=1S/C14H27N5O5/c1-4-24-14(23)16-6-5-15-11(20)8-18-13(22)9-19-12(21)7-17-10(2)3/h10,17H,4-9H2,1-3H3,(H,15,20)(H,16,23)(H,18,22)(H,19,21)
InChIKeyAURXFFVMFTVSNF-UHFFFAOYSA-N
XLogP-1.92
TPSA137.66 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 5-1.92
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 ethyl N-[2-[[2-[[2-[[2-(propan-2-ylamino)acetyl]amino]acetyl]amino]acetyl]amino]ethyl]carbamate?
The IUPAC name of ethyl N-[2-[[2-[[2-[[2-(propan-2-ylamino)acetyl]amino]acetyl]amino]acetyl]amino]ethyl]carbamate (CID 138630473) is ethyl N-[2-[[2-[[2-[[2-(propan-2-ylamino)acetyl]amino]acetyl]amino]acetyl]amino]ethyl]carbamate.
What is the SMILES notation for ethyl N-[2-[[2-[[2-[[2-(propan-2-ylamino)acetyl]amino]acetyl]amino]acetyl]amino]ethyl]carbamate?
The canonical SMILES for ethyl N-[2-[[2-[[2-[[2-(propan-2-ylamino)acetyl]amino]acetyl]amino]acetyl]amino]ethyl]carbamate is CCOC(=O)NCCNC(=O)CNC(=O)CNC(=O)CNC(C)C.
What is the InChIKey of ethyl N-[2-[[2-[[2-[[2-(propan-2-ylamino)acetyl]amino]acetyl]amino]acetyl]amino]ethyl]carbamate?
The InChIKey is AURXFFVMFTVSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5O5/c1-4-24-14(23)16-6-5-15-11(20)8-18-13(22)9-19-12(21)7-17-10(2)3/h10,17H,4-9H2,1-3H3,(H,15,20)(H,16,23)(H,18,22)(H,19,21).
What are the key properties of ethyl N-[2-[[2-[[2-[[2-(propan-2-ylamino)acetyl]amino]acetyl]amino]acetyl]amino]ethyl]carbamate?
ethyl N-[2-[[2-[[2-[[2-(propan-2-ylamino)acetyl]amino]acetyl]amino]acetyl]amino]ethyl]carbamate has a molecular weight of 345.40 g/mol, XLogP of -1.92, 11 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-(propan-2-ylamino)acetyl]amino]acetyl]amino]acetyl]amino]ethyl]carbamate is sourced from PubChem (CID 138630473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).