carbamoyl 2-amino-3-(8-methylnaphthalen-1-yl)butanimidate

C16H19N3O2 — CID 138535838

IUPACcarbamoyl 2-amino-3-(8-methylnaphthalen-1-yl)butanimidate
SMILES[H]/N=C(\OC(N)=O)C(N)C(C)c1cccc2cccc(C)c12
InChIInChI=1S/C16H19N3O2/c1-9-5-3-6-11-7-4-8-12(13(9)11)10(2)14(17)15(18)21-16(19)20/h3-8,10,14,18H,17H2,1-2H3,(H2,19,20)/b18-15-
InChIKeyYMWJGNIWVIMRNT-SDXDJHTJSA-N
MW285.35 g/mol
LogP2.65
Rot. Bonds3

About carbamoyl 2-amino-3-(8-methylnaphthalen-1-yl)butanimidate

carbamoyl 2-amino-3-(8-methylnaphthalen-1-yl)butanimidate (PubChem CID 138535838) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is carbamoyl 2-amino-3-(8-methylnaphthalen-1-yl)butanimidate.

Molecular Properties

Compound Namecarbamoyl 2-amino-3-(8-methylnaphthalen-1-yl)butanimidate
PubChem CID138535838
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Namecarbamoyl 2-amino-3-(8-methylnaphthalen-1-yl)butanimidate
SMILES[H]/N=C(\OC(N)=O)C(N)C(C)c1cccc2cccc(C)c12
InChIInChI=1S/C16H19N3O2/c1-9-5-3-6-11-7-4-8-12(13(9)11)10(2)14(17)15(18)21-16(19)20/h3-8,10,14,18H,17H2,1-2H3,(H2,19,20)/b18-15-
InChIKeyYMWJGNIWVIMRNT-SDXDJHTJSA-N
XLogP2.65
TPSA102.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 carbamoyl 2-amino-3-(8-methylnaphthalen-1-yl)butanimidate?
The IUPAC name of carbamoyl 2-amino-3-(8-methylnaphthalen-1-yl)butanimidate (CID 138535838) is carbamoyl 2-amino-3-(8-methylnaphthalen-1-yl)butanimidate.
What is the SMILES notation for carbamoyl 2-amino-3-(8-methylnaphthalen-1-yl)butanimidate?
The canonical SMILES for carbamoyl 2-amino-3-(8-methylnaphthalen-1-yl)butanimidate is [H]/N=C(\OC(N)=O)C(N)C(C)c1cccc2cccc(C)c12.
What is the InChIKey of carbamoyl 2-amino-3-(8-methylnaphthalen-1-yl)butanimidate?
The InChIKey is YMWJGNIWVIMRNT-SDXDJHTJSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-9-5-3-6-11-7-4-8-12(13(9)11)10(2)14(17)15(18)21-16(19)20/h3-8,10,14,18H,17H2,1-2H3,(H2,19,20)/b18-15-.
What are the key properties of carbamoyl 2-amino-3-(8-methylnaphthalen-1-yl)butanimidate?
carbamoyl 2-amino-3-(8-methylnaphthalen-1-yl)butanimidate has a molecular weight of 285.35 g/mol, XLogP of 2.65, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbamoyl 2-amino-3-(8-methylnaphthalen-1-yl)butanimidate is sourced from PubChem (CID 138535838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).