carbamic acid;methane;phenylcarbamic acid

C12H25N3O6 — CID 70508846

IUPACcarbamic acid;methane;phenylcarbamic acid
SMILESC.C.C.NC(=O)O.NC(=O)O.O=C(O)Nc1ccccc1
InChIInChI=1S/C7H7NO2.2CH3NO2.3CH4/c9-7(10)8-6-4-2-1-3-5-6;2*2-1(3)4;;;/h1-5,8H,(H,9,10);2*2H2,(H,3,4);3*1H4
InChIKeyKBPYKUXNWVLTIQ-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.93
Rot. Bonds1

About carbamic acid;methane;phenylcarbamic acid

carbamic acid;methane;phenylcarbamic acid (PubChem CID 70508846) has the molecular formula C12H25N3O6 and a molecular weight of 307.35 g/mol. Its IUPAC name is carbamic acid;methane;phenylcarbamic acid.

Molecular Properties

Compound Namecarbamic acid;methane;phenylcarbamic acid
PubChem CID70508846
Molecular FormulaC12H25N3O6
Molecular Weight307.35 g/mol
Exact Mass307.17
IUPAC Namecarbamic acid;methane;phenylcarbamic acid
SMILESC.C.C.NC(=O)O.NC(=O)O.O=C(O)Nc1ccccc1
InChIInChI=1S/C7H7NO2.2CH3NO2.3CH4/c9-7(10)8-6-4-2-1-3-5-6;2*2-1(3)4;;;/h1-5,8H,(H,9,10);2*2H2,(H,3,4);3*1H4
InChIKeyKBPYKUXNWVLTIQ-UHFFFAOYSA-N
XLogP2.93
TPSA175.97 Ų
H-Bond Donors6
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.35
LogP ≤ 52.93
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of carbamic acid;methane;phenylcarbamic acid?
The IUPAC name of carbamic acid;methane;phenylcarbamic acid (CID 70508846) is carbamic acid;methane;phenylcarbamic acid.
What is the SMILES notation for carbamic acid;methane;phenylcarbamic acid?
The canonical SMILES for carbamic acid;methane;phenylcarbamic acid is C.C.C.NC(=O)O.NC(=O)O.O=C(O)Nc1ccccc1.
What is the InChIKey of carbamic acid;methane;phenylcarbamic acid?
The InChIKey is KBPYKUXNWVLTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2.2CH3NO2.3CH4/c9-7(10)8-6-4-2-1-3-5-6;2*2-1(3)4;;;/h1-5,8H,(H,9,10);2*2H2,(H,3,4);3*1H4.
What are the key properties of carbamic acid;methane;phenylcarbamic acid?
carbamic acid;methane;phenylcarbamic acid has a molecular weight of 307.35 g/mol, XLogP of 2.93, 1 rotatable bonds, 6 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbamic acid;methane;phenylcarbamic acid is sourced from PubChem (CID 70508846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).