2-[(2-cyano-2-propylpentanoyl)amino]ethyl carbamate

C12H21N3O3 — CID 83210197

IUPAC2-[(2-cyano-2-propylpentanoyl)amino]ethyl carbamate
SMILESCCCC(C#N)(CCC)C(=O)NCCOC(N)=O
InChIInChI=1S/C12H21N3O3/c1-3-5-12(9-13,6-4-2)10(16)15-7-8-18-11(14)17/h3-8H2,1-2H3,(H2,14,17)(H,15,16)
InChIKeyWQRGNUTXPKKILN-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.31
Rot. Bonds8

About 2-[(2-cyano-2-propylpentanoyl)amino]ethyl carbamate

2-[(2-cyano-2-propylpentanoyl)amino]ethyl carbamate (PubChem CID 83210197) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-[(2-cyano-2-propylpentanoyl)amino]ethyl carbamate.

Molecular Properties

Compound Name2-[(2-cyano-2-propylpentanoyl)amino]ethyl carbamate
PubChem CID83210197
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name2-[(2-cyano-2-propylpentanoyl)amino]ethyl carbamate
SMILESCCCC(C#N)(CCC)C(=O)NCCOC(N)=O
InChIInChI=1S/C12H21N3O3/c1-3-5-12(9-13,6-4-2)10(16)15-7-8-18-11(14)17/h3-8H2,1-2H3,(H2,14,17)(H,15,16)
InChIKeyWQRGNUTXPKKILN-UHFFFAOYSA-N
XLogP1.31
TPSA105.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-cyano-N-(3-propoxypropyl)-2-propylpentanamide
CID 82941499
2-cyano-N-(2-methoxy-2-methylpropyl)-2-propylpentanamide
CID 113450294
2-cyano-N-(5-hydroxy-4-methylpentyl)-2-propylpentanamide
CID 106161676
2-cyano-2-propyl-N-(2-prop-2-ynylsulfanylethyl)pentanamide
CID 114187651
2-[(2-amino-2-methylbutanoyl)amino]ethyl carbamate
CID 83211882
2-[(2-bromo-2-methylpropanoyl)amino]ethyl carbamate
CID 114329061
N-(3-amino-3-oxopropyl)-2-cyano-2-ethylbutanamide
CID 55207876
N-[2-(tert-butylamino)-2-oxoethyl]-2-cyano-2-propylpentanamide
CID 115356267
2-cyano-N',N'-dimethyl-2-propylpentanehydrazide
CID 83016357
2-cyano-N-[2-(cyclopenten-1-yl)ethyl]-2-propylpentanamide
CID 106173529
2-[(3-chloro-2,2-dimethylpropanoyl)amino]ethyl carbamate
CID 83209558
2-(2-cyanopropanoylamino)ethyl carbamate
CID 83210393

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyano-2-propylpentanoyl)amino]ethyl carbamate?
The IUPAC name of 2-[(2-cyano-2-propylpentanoyl)amino]ethyl carbamate (CID 83210197) is 2-[(2-cyano-2-propylpentanoyl)amino]ethyl carbamate.
What is the SMILES notation for 2-[(2-cyano-2-propylpentanoyl)amino]ethyl carbamate?
The canonical SMILES for 2-[(2-cyano-2-propylpentanoyl)amino]ethyl carbamate is CCCC(C#N)(CCC)C(=O)NCCOC(N)=O.
What is the InChIKey of 2-[(2-cyano-2-propylpentanoyl)amino]ethyl carbamate?
The InChIKey is WQRGNUTXPKKILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-3-5-12(9-13,6-4-2)10(16)15-7-8-18-11(14)17/h3-8H2,1-2H3,(H2,14,17)(H,15,16).
What are the key properties of 2-[(2-cyano-2-propylpentanoyl)amino]ethyl carbamate?
2-[(2-cyano-2-propylpentanoyl)amino]ethyl carbamate has a molecular weight of 255.32 g/mol, XLogP of 1.31, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyano-2-propylpentanoyl)amino]ethyl carbamate is sourced from PubChem (CID 83210197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).