N-[2-[[N,N'-dimethyl-N-(oxolan-3-ylmethyl)carbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide

C15H30N4O2 — CID 109381592

IUPACN-[2-[[N,N'-dimethyl-N-(oxolan-3-ylmethyl)carbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide
SMILESC/N=C(\NCCNC(=O)C(C)(C)C)N(C)CC1CCOC1
InChIInChI=1S/C15H30N4O2/c1-15(2,3)13(20)17-7-8-18-14(16-4)19(5)10-12-6-9-21-11-12/h12H,6-11H2,1-5H3,(H,16,18)(H,17,20)
InChIKeyDECFUJAQPLUCTK-UHFFFAOYSA-N
MW298.43 g/mol
LogP0.69
Rot. Bonds5

About N-[2-[[N,N'-dimethyl-N-(oxolan-3-ylmethyl)carbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide

N-[2-[[N,N'-dimethyl-N-(oxolan-3-ylmethyl)carbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide (PubChem CID 109381592) has the molecular formula C15H30N4O2 and a molecular weight of 298.43 g/mol. Its IUPAC name is N-[2-[[N,N'-dimethyl-N-(oxolan-3-ylmethyl)carbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-[[N,N'-dimethyl-N-(oxolan-3-ylmethyl)carbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide
PubChem CID109381592
Molecular FormulaC15H30N4O2
Molecular Weight298.43 g/mol
Exact Mass298.24
IUPAC NameN-[2-[[N,N'-dimethyl-N-(oxolan-3-ylmethyl)carbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide
SMILESC/N=C(\NCCNC(=O)C(C)(C)C)N(C)CC1CCOC1
InChIInChI=1S/C15H30N4O2/c1-15(2,3)13(20)17-7-8-18-14(16-4)19(5)10-12-6-9-21-11-12/h12H,6-11H2,1-5H3,(H,16,18)(H,17,20)
InChIKeyDECFUJAQPLUCTK-UHFFFAOYSA-N
XLogP0.69
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[N,N'-dimethyl-N-(oxolan-3-ylmethyl)carbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-[[N,N'-dimethyl-N-(oxolan-3-ylmethyl)carbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide (CID 109381592) is N-[2-[[N,N'-dimethyl-N-(oxolan-3-ylmethyl)carbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-[[N,N'-dimethyl-N-(oxolan-3-ylmethyl)carbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-[[N,N'-dimethyl-N-(oxolan-3-ylmethyl)carbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide is C/N=C(\NCCNC(=O)C(C)(C)C)N(C)CC1CCOC1.
What is the InChIKey of N-[2-[[N,N'-dimethyl-N-(oxolan-3-ylmethyl)carbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide?
The InChIKey is DECFUJAQPLUCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O2/c1-15(2,3)13(20)17-7-8-18-14(16-4)19(5)10-12-6-9-21-11-12/h12H,6-11H2,1-5H3,(H,16,18)(H,17,20).
What are the key properties of N-[2-[[N,N'-dimethyl-N-(oxolan-3-ylmethyl)carbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide?
N-[2-[[N,N'-dimethyl-N-(oxolan-3-ylmethyl)carbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide has a molecular weight of 298.43 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[N,N'-dimethyl-N-(oxolan-3-ylmethyl)carbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 109381592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).