[ethylcarbamoyl(naphthalen-2-yl)amino]-methylcarbamic acid

C15H17N3O3 — CID 154060680

IUPAC[ethylcarbamoyl(naphthalen-2-yl)amino]-methylcarbamic acid
SMILESCCNC(=O)N(c1ccc2ccccc2c1)N(C)C(=O)O
InChIInChI=1S/C15H17N3O3/c1-3-16-14(19)18(17(2)15(20)21)13-9-8-11-6-4-5-7-12(11)10-13/h4-10H,3H2,1-2H3,(H,16,19)(H,20,21)
InChIKeyBBTOFDGGMXJRQK-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.90
Rot. Bonds2

About [ethylcarbamoyl(naphthalen-2-yl)amino]-methylcarbamic acid

[ethylcarbamoyl(naphthalen-2-yl)amino]-methylcarbamic acid (PubChem CID 154060680) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is [ethylcarbamoyl(naphthalen-2-yl)amino]-methylcarbamic acid.

Molecular Properties

Compound Name[ethylcarbamoyl(naphthalen-2-yl)amino]-methylcarbamic acid
PubChem CID154060680
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name[ethylcarbamoyl(naphthalen-2-yl)amino]-methylcarbamic acid
SMILESCCNC(=O)N(c1ccc2ccccc2c1)N(C)C(=O)O
InChIInChI=1S/C15H17N3O3/c1-3-16-14(19)18(17(2)15(20)21)13-9-8-11-6-4-5-7-12(11)10-13/h4-10H,3H2,1-2H3,(H,16,19)(H,20,21)
InChIKeyBBTOFDGGMXJRQK-UHFFFAOYSA-N
XLogP2.90
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [ethylcarbamoyl(naphthalen-2-yl)amino]-methylcarbamic acid?
The IUPAC name of [ethylcarbamoyl(naphthalen-2-yl)amino]-methylcarbamic acid (CID 154060680) is [ethylcarbamoyl(naphthalen-2-yl)amino]-methylcarbamic acid.
What is the SMILES notation for [ethylcarbamoyl(naphthalen-2-yl)amino]-methylcarbamic acid?
The canonical SMILES for [ethylcarbamoyl(naphthalen-2-yl)amino]-methylcarbamic acid is CCNC(=O)N(c1ccc2ccccc2c1)N(C)C(=O)O.
What is the InChIKey of [ethylcarbamoyl(naphthalen-2-yl)amino]-methylcarbamic acid?
The InChIKey is BBTOFDGGMXJRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-3-16-14(19)18(17(2)15(20)21)13-9-8-11-6-4-5-7-12(11)10-13/h4-10H,3H2,1-2H3,(H,16,19)(H,20,21).
What are the key properties of [ethylcarbamoyl(naphthalen-2-yl)amino]-methylcarbamic acid?
[ethylcarbamoyl(naphthalen-2-yl)amino]-methylcarbamic acid has a molecular weight of 287.32 g/mol, XLogP of 2.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [ethylcarbamoyl(naphthalen-2-yl)amino]-methylcarbamic acid is sourced from PubChem (CID 154060680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).