N-(2-bicyclo[2.2.1]heptanylmethyl)-2-[(Z)-N'-hydroxycarbamimidoyl]-3-methylbutanamide

C14H25N3O2 — CID 55234653

IUPACN-(2-bicyclo[2.2.1]heptanylmethyl)-2-[(Z)-N'-hydroxycarbamimidoyl]-3-methylbutanamide
SMILESCC(C)C(C(=O)NCC1CC2CCC1C2)/C(N)=N/O
InChIInChI=1S/C14H25N3O2/c1-8(2)12(13(15)17-19)14(18)16-7-11-6-9-3-4-10(11)5-9/h8-12,19H,3-7H2,1-2H3,(H2,15,17)(H,16,18)
InChIKeySOXJIHDTQSENOQ-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.56
Rot. Bonds5

About N-(2-bicyclo[2.2.1]heptanylmethyl)-2-[(Z)-N'-hydroxycarbamimidoyl]-3-methylbutanamide

N-(2-bicyclo[2.2.1]heptanylmethyl)-2-[(Z)-N'-hydroxycarbamimidoyl]-3-methylbutanamide (PubChem CID 55234653) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanylmethyl)-2-[(Z)-N'-hydroxycarbamimidoyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanylmethyl)-2-[(Z)-N'-hydroxycarbamimidoyl]-3-methylbutanamide
PubChem CID55234653
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC NameN-(2-bicyclo[2.2.1]heptanylmethyl)-2-[(Z)-N'-hydroxycarbamimidoyl]-3-methylbutanamide
SMILESCC(C)C(C(=O)NCC1CC2CCC1C2)/C(N)=N/O
InChIInChI=1S/C14H25N3O2/c1-8(2)12(13(15)17-19)14(18)16-7-11-6-9-3-4-10(11)5-9/h8-12,19H,3-7H2,1-2H3,(H2,15,17)(H,16,18)
InChIKeySOXJIHDTQSENOQ-UHFFFAOYSA-N
XLogP1.56
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-2-[(Z)-N'-hydroxycarbamimidoyl]-3-methylbutanamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-2-[(Z)-N'-hydroxycarbamimidoyl]-3-methylbutanamide (CID 55234653) is N-(2-bicyclo[2.2.1]heptanylmethyl)-2-[(Z)-N'-hydroxycarbamimidoyl]-3-methylbutanamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanylmethyl)-2-[(Z)-N'-hydroxycarbamimidoyl]-3-methylbutanamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanylmethyl)-2-[(Z)-N'-hydroxycarbamimidoyl]-3-methylbutanamide is CC(C)C(C(=O)NCC1CC2CCC1C2)/C(N)=N/O.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanylmethyl)-2-[(Z)-N'-hydroxycarbamimidoyl]-3-methylbutanamide?
The InChIKey is SOXJIHDTQSENOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-8(2)12(13(15)17-19)14(18)16-7-11-6-9-3-4-10(11)5-9/h8-12,19H,3-7H2,1-2H3,(H2,15,17)(H,16,18).
What are the key properties of N-(2-bicyclo[2.2.1]heptanylmethyl)-2-[(Z)-N'-hydroxycarbamimidoyl]-3-methylbutanamide?
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-[(Z)-N'-hydroxycarbamimidoyl]-3-methylbutanamide has a molecular weight of 267.37 g/mol, XLogP of 1.56, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanylmethyl)-2-[(Z)-N'-hydroxycarbamimidoyl]-3-methylbutanamide is sourced from PubChem (CID 55234653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).