CID 10105754

C13H25N2O2 — CID 10105754

IUPAC—
SMILESCCCCNC(=O)C1CC(C)(C)N([O])C1(C)C
InChIInChI=1S/C13H25N2O2/c1-6-7-8-14-11(16)10-9-12(2,3)15(17)13(10,4)5/h10H,6-9H2,1-5H3,(H,14,16)
InChIKeyBXWCIPZMAQNVAI-UHFFFAOYSA-N
MW241.35 g/mol
LogP2.13
Rot. Bonds4

About CID 10105754

CID 10105754 (PubChem CID 10105754) has the molecular formula C13H25N2O2 and a molecular weight of 241.35 g/mol.

Molecular Properties

Compound NameCID 10105754
PubChem CID10105754
Molecular FormulaC13H25N2O2
Molecular Weight241.35 g/mol
Exact Mass241.19
IUPAC Name—
SMILESCCCCNC(=O)C1CC(C)(C)N([O])C1(C)C
InChIInChI=1S/C13H25N2O2/c1-6-7-8-14-11(16)10-9-12(2,3)15(17)13(10,4)5/h10H,6-9H2,1-5H3,(H,14,16)
InChIKeyBXWCIPZMAQNVAI-UHFFFAOYSA-N
XLogP2.13
TPSA52.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.35
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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(1R,2S,3S,4S)-2-N,3-N-dibutylbicyclo[2.2.2]oct-5-ene-2,3-dicarboxamide
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4-amino-2,2,3-trimethyl-N-pentylcyclohexane-1-carboxamide
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CID 153419566
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N,1-dihydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxamide
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3-N,4-N-dibutylpyrrolidine-3,4-dicarboxamide;hydrochloride
CID 154586687
N-(5-aminopentyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 107000185
ethyl 4-[(2,2-dimethylcyclopropanecarbonyl)amino]butanoate
CID 103837341
4-amino-N-butyl-3-methylcyclohexane-1-carboxamide
CID 62782491
2,2-dimethyl-N-[3-(triazol-1-yl)propyl]cyclopropane-1-carboxamide
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N-(4-cyanobutyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 103837485
N-butylthiane-2-carboxamide
CID 110848251

Frequently Asked Questions

What is the IUPAC name of CID 10105754?
The IUPAC name of CID 10105754 (CID 10105754) is not available.
What is the SMILES notation for CID 10105754?
The canonical SMILES for CID 10105754 is CCCCNC(=O)C1CC(C)(C)N([O])C1(C)C.
What is the InChIKey of CID 10105754?
The InChIKey is BXWCIPZMAQNVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N2O2/c1-6-7-8-14-11(16)10-9-12(2,3)15(17)13(10,4)5/h10H,6-9H2,1-5H3,(H,14,16).
What are the key properties of CID 10105754?
CID 10105754 has a molecular weight of 241.35 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10105754 is sourced from PubChem (CID 10105754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).