(4-amino-4-phenylbutyl)carbamic acid

C11H16N2O2 — CID 22715104

IUPAC(4-amino-4-phenylbutyl)carbamic acid
SMILESNC(CCCNC(=O)O)c1ccccc1
InChIInChI=1S/C11H16N2O2/c12-10(7-4-8-13-11(14)15)9-5-2-1-3-6-9/h1-3,5-6,10,13H,4,7-8,12H2,(H,14,15)
InChIKeyDVEBTOBMGQVBAH-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.73
Rot. Bonds5

About (4-amino-4-phenylbutyl)carbamic acid

(4-amino-4-phenylbutyl)carbamic acid (PubChem CID 22715104) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is (4-amino-4-phenylbutyl)carbamic acid.

Molecular Properties

Compound Name(4-amino-4-phenylbutyl)carbamic acid
PubChem CID22715104
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name(4-amino-4-phenylbutyl)carbamic acid
SMILESNC(CCCNC(=O)O)c1ccccc1
InChIInChI=1S/C11H16N2O2/c12-10(7-4-8-13-11(14)15)9-5-2-1-3-6-9/h1-3,5-6,10,13H,4,7-8,12H2,(H,14,15)
InChIKeyDVEBTOBMGQVBAH-UHFFFAOYSA-N
XLogP1.73
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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 (4-amino-4-phenylbutyl)carbamic acid?
The IUPAC name of (4-amino-4-phenylbutyl)carbamic acid (CID 22715104) is (4-amino-4-phenylbutyl)carbamic acid.
What is the SMILES notation for (4-amino-4-phenylbutyl)carbamic acid?
The canonical SMILES for (4-amino-4-phenylbutyl)carbamic acid is NC(CCCNC(=O)O)c1ccccc1.
What is the InChIKey of (4-amino-4-phenylbutyl)carbamic acid?
The InChIKey is DVEBTOBMGQVBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c12-10(7-4-8-13-11(14)15)9-5-2-1-3-6-9/h1-3,5-6,10,13H,4,7-8,12H2,(H,14,15).
What are the key properties of (4-amino-4-phenylbutyl)carbamic acid?
(4-amino-4-phenylbutyl)carbamic acid has a molecular weight of 208.26 g/mol, XLogP of 1.73, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-4-phenylbutyl)carbamic acid is sourced from PubChem (CID 22715104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).